1-((1E)-hex-1-en-1-yl)cyclohexan-1-ol
PubChem CID: 5352482
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| Compound Synonyms | 1-[(1E)-1-Hexenyl]cyclohexanol, 34678-40-5, Cyclohexanol, 1-(1-hexenyl)-, (E)-, 64042-39-3, 1-[(1E)-hex-1-en-1-yl]cyclohexan-1-ol, 1-((1E)-hex-1-en-1-yl)cyclohexan-1-ol, Cyclohexanol, 1-(1-hexenyl)-, NSC244901, Cyclohexanol, (E)-, SCHEMBL11786177, (E)-1-(1-Hexenyl)cyclohexanol, ICOITBGCXKPDQU-RMKNXTFCSA-N, AKOS015906665, NSC-244901, 1-[(E)-hex-1-enyl]-cyclohexan-1-ol, EN300-6498913, 832-466-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCC/C=C/CO)CCCCC6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(E)-hex-1-enyl]cyclohexan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | ICOITBGCXKPDQU-RMKNXTFCSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-[(e)-1-hexenyl]-cyclohexanol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 1-((1E)-hex-1-en-1-yl)cyclohexan-1-ol |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+ |
| Smiles | CCCC/C=C/C1(CCCCC1)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.958