Cucumber alcohol
PubChem CID: 5320191
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| Compound Synonyms | 2,6-Nonadien-1-ol, Cucumber alcohol, (2E,6E)-Nona-2,6-dien-1-ol, 5820-89-3, Violet-leaf alcohol, 2,6-NONADIENOL, (E,Z)-2,6-nonadienol, 7786-44-9, EINECS 227-394-9, SCHEMBL162446, SCHEMBL162448, CHEBI:195701, DTXSID401312577, 2,6-Nonadien-1-ol, (E,E)-, AKOS025296198, BS-46429, LS-13681, DB-246831, NS00013030 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CC/C=C/CC/C=C/CO |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-nona-2,6-dien-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMXYRHBJZOVHOL-DYWGDJMRSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5555555555555556 |
| Logs | -3.36 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.994 |
| Synonyms | 2,6-nonadien-1-ol, 2,6-nonadienol, cucumber alcohol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | Cucumber alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.6898011999999998 |
| Inchi | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3+,8-7+ |
| Smiles | CC/C=C/CC/C=C/CO |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ailanthus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1739 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Prunella Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644102 - 5. Outgoing r'ship
FOUND_INto/from Viola Odorata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279