| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:11:30 UTC |
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| Update date | 2015-07-20 23:11:51 UTC |
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| Primary ID | FDB014842 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene |
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| Description | 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene belongs to the class of organic compounds known as monoterpenoids. Monoterpenoids are compounds containing a chain of two isoprene units. Based on a literature review a small amount of articles have been published on 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene. |
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| CAS Number | 89079-92-5 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C14H22O |
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| IUPAC name | 2,7-dimethyl-10-(propan-2-yl)-1-oxaspiro[4.5]deca-3,6-diene |
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| InChI Identifier | InChI=1S/C14H22O/c1-10(2)13-6-5-11(3)9-14(13)8-7-12(4)15-14/h7-10,12-13H,5-6H2,1-4H3 |
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| InChI Key | QQLMXACDDRGTPU-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)C1CCC(C)=CC11OC(C)C=C1 |
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| Average Molecular Weight | 206.3239 |
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| Monoisotopic Molecular Weight | 206.167065326 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as monoterpenoids. Monoterpenoids are compounds containing a chain of two isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Monoterpenoids |
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| Direct Parent | Monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Monoterpenoid
- Dihydrofuran
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Route of exposure: Biological location: Source: |
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| Process | Naturally occurring process: |
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| Role | Industrial application: Biological role: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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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 | 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-2900000000-4062549625b9076a7d46 | Spectrum | | Predicted GC-MS | 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene, 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-1690000000-ff021c602291325a7e4b | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ldi-5920000000-19a2bed11776bd6a2e5b | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ldi-9300000000-0c9b3076da85348affee | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0190000000-85e5fb8a041a27d93d2a | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0490000000-993defaef56e79fcb933 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-1900000000-8bf7a9081e6e76213975 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0090000000-2d8ac504a1490d38e7ad | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0190000000-f2d64b88258e818b6af6 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0081-3900000000-88e4b730de94b8b50f0e | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0690000000-518f03e5785318195c1c | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01p9-9710000000-07533fdef4c88c6f9133 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-002f-9300000000-8c5abb899f6f0f001c01 | 2021-09-23 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 14964823 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 20268659 |
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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 | HMDB36024 |
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| CRC / DFC (Dictionary of Food Compounds) ID | JWQ69-T:JWQ69-T |
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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 | rw1427111 |
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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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| 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 | |
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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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