(9E,12E)-octadeca-9,12-dien-1-ol
PubChem CID: 5462912
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 9,12-OCTADECADIEN-1-OL, 1577-52-2, (9E,12E)-octadeca-9,12-dien-1-ol, CIS,CIS-9,12-OCTADECADIENOL, octadeca-9,12-dien-1-ol, 9,12-octadecadienol, SCHEMBL810909, SCHEMBL1301347, LMFA05000217, LS-14684, 9,12-Octadecadien-1-ol, (9E,12E)-, W16154 |
|---|---|
| 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 | CCCCC/C=C/C/C=C/CCCCCCCCO |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E,12E)-octadeca-9,12-dien-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXNPEDYJTDQORS-AVQMFFATSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.7777777777777778 |
| Logs | -5.316 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.488 |
| Synonyms | 9,12-octadecadienol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | (9E,12E)-octadeca-9,12-dien-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 266.5 |
| 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 | -4.852107799999998 |
| Inchi | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6+,10-9+ |
| Smiles | CCCCC/C=C/C/C=C/CCCCCCCCO |
| Nring | 0.0 |
| 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 Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1742 - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1466 - 5. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700075 - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Planispinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all