| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:11:33 UTC |
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| Update date | 2018-05-29 01:15:47 UTC |
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| Primary ID | FDB014931 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol |
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| Description | exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Based on a literature review very few articles have been published on exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol. |
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| CAS Number | 95-01-2 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C9H14O |
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| IUPAC name | 5,6-dimethylbicyclo[2.2.1]hept-5-en-2-ol |
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| InChI Identifier | InChI=1S/C9H14O/c1-5-6(2)8-3-7(5)4-9(8)10/h7-10H,3-4H2,1-2H3 |
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| InChI Key | BRMSNMZILBBMIX-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1=C(C)C2CC1CC2O |
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| Average Molecular Weight | 138.2069 |
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| Monoisotopic Molecular Weight | 138.10446507 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Alcohols and polyols |
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| Direct Parent | Cyclic alcohols and derivatives |
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| Alternative Parents | |
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| Substituents | - Cyclic alcohol
- Secondary alcohol
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Source: Biological location: |
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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 | exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-9500000000-102cf7dc85218c75bf5c | Spectrum | | Predicted GC-MS | exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0abd-9700000000-13a032fb028f1ec26fa2 | Spectrum | | Predicted GC-MS | exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol, 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 | splash10-00dr-0900000000-5e76a09c6ebd91be1ad6 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00dr-2900000000-2bb20dfc86a1df9dea3c | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pvi-9200000000-fcd929fd4c030a8267fd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-4dfaa8dbaac33c480914 | 2016-08-04 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-14868014567e206426ac | 2016-08-04 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-059l-5900000000-2a4c7f0b0b7977c92fc1 | 2016-08-04 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0072-8900000000-cb20637da1d37d7aa5e0 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052p-9200000000-918fc4a17dbbba9fcc35 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-7df60e99b93462c9478a | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-928b413704490084a303 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-5e24cce5d939b6f97b1b | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014u-6900000000-98dfd21f28f5e41e301a | 2021-09-25 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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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 | HMDB36091 |
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| CRC / DFC (Dictionary of Food Compounds) ID | JXK39-N:JXK40-H |
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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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| 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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