Octadecadienol
PubChem CID: 71317672
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| Compound Synonyms | Octadecadienol, Hydroxyoctadecadien, SCHEMBL317009, YQBBOKLKQHKPIW-UHFFFAOYSA-N, Q67880036 |
|---|---|
| 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 | CCCCCCCCCCCCCCC=CC=CO |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Enols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadeca-1,3-dien-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 8.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34O |
| Inchi Key | YQBBOKLKQHKPIW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | octadecadienol* |
| Esol Class | Moderately soluble |
| Functional Groups | CC=CC=CO |
| Compound Name | Octadecadienol |
| Exact Mass | 266.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 266.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-19H,2-14H2,1H3 |
| Smiles | CCCCCCCCCCCCCCC=CC=CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Bidens Pilosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700039