7-Octen-2-ol
PubChem CID: 542172
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| Compound Synonyms | 7-Octen-2-ol, oct-7-en-2-ol, 39546-75-3, xi-7-Octen-2-ol, (R)-oct-7-en-2-ol, SCHEMBL570592, CHEBI:87586, DTXSID20337360, LMFA05000704, AKOS013621153, Q27159752 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Description | Present in goat's cheese. xi-7-Octen-2-ol is found in milk and milk products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-7-en-2-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSHUHVOEMVTVRS-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 5.0 |
| Substituent Name | Fatty alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Compound Name | 7-Octen-2-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7791329999999999 |
| Inchi | InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3 |
| Smiles | CC(CCCCC=C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients