1,2-Octadecanediol
PubChem CID: 89314
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| Compound Synonyms | 1,2-Octadecanediol, Octadecane-1,2-diol, Stearyl glycol, 1,2-Dihydroxyoctadecane, 20294-76-2, O-Hexadecylethanediol, 1,12-Dihydroxyoctadecane, UNII-9J9GD77RJI, octadecylene glycol, 9J9GD77RJI, EINECS 243-711-3, NSC 71534, NSC-71534, AI3-14194, CHEBI:84956, NCIOpen2_003464, SCHEMBL439709, STEARYL GLYCOL [INCI], DTXSID101021743, NSC71534, NS00014127, Q27158218 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCO))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadecane-1,2-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H38O2 |
| Inchi Key | XWAMHGPDZOVVND-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 1,2-octadecanediol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 1,2-Octadecanediol |
| Exact Mass | 286.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCC(CO)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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