Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:05:42 UTC |
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Update date | 2020-02-24 19:10:42 UTC |
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Primary ID | FDB003227 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (E)-4-Undecene |
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Description | (E)-4-Undecene belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, (e)-4-undecene is considered to be a hydrocarbon. Based on a literature review very few articles have been published on (E)-4-Undecene. |
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CAS Number | 693-62-9 |
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Structure | |
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Synonyms | Synonym | Source |
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(4E)-4-Undecene | HMDB | trans-4-Undecene | HMDB | (E)-4-Undecene | biospider | 4-Undecene, (E)- | biospider | 4-Undecene, trans- | biospider |
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Predicted Properties | |
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Chemical Formula | C11H22 |
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IUPAC name | (4E)-undec-4-ene |
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InChI Identifier | InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+ |
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InChI Key | JABYJIQOLGWMQW-VQHVLOKHSA-N |
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Isomeric SMILES | CCCCCC\C=C\CCC |
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Average Molecular Weight | 154.2924 |
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Monoisotopic Molecular Weight | 154.172150704 |
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Classification |
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Description | Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. |
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Kingdom | Organic compounds |
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Super Class | Hydrocarbons |
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Class | Unsaturated hydrocarbons |
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Sub Class | Unsaturated aliphatic hydrocarbons |
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Direct Parent | Unsaturated aliphatic hydrocarbons |
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Alternative Parents | |
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Substituents | - Unsaturated aliphatic hydrocarbon
- Olefin
- Alkene
- Acyclic olefin
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 85.63%; H 14.37% | DFC |
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Melting Point | Fp -63.7° | DFC |
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Boiling Point | Bp10 73.3° | DFC |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | (E)-4-Undecene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a7l-9100000000-e30da0f16709384e91b9 | Spectrum | Predicted GC-MS | (E)-4-Undecene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (E)-4-Undecene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-1900000000-10dab38bf677434968fa | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-7900000000-684769554477c54cb1c1 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9100000000-a20a92867785fc9bbdb0 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-8bb6c32feb027efa14d5 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-617bb90ea271e870106f | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-9600000000-c2eb0375b61cefed6f0e | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-5766424e71cc1e7e2a0a | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-5766424e71cc1e7e2a0a | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0gba-9400000000-dbb133fdb78b9168b10b | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4u-9000000000-1f3b7025d009b5cb3062 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0536-9000000000-293e6634763f7d215c84 | Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-cd99282db1065e534b73 | Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 4513469 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 5358315 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB31205 |
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CRC / DFC (Dictionary of Food Compounds) ID | CTS32-T:CTS33-U |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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