9-Octadecanol
PubChem CID: 13017695
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| Compound Synonyms | 9-Octadecanol, OCTADECAN-9-OL, Nonyloctyl carbinol, 591-70-8, 3V7FI3O6XW, UNII-3V7FI3O6XW, 160435-42-7, Octyl Decyl Alcohol, 9-hydroxyoctadecane, SCHEMBL180425, DTXSID60515307, CHEBI:197467, F72182, Q27258077 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadecan-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 8.1 |
| Molecular Formula | C18H38O |
| Prediction Swissadme | 0.0 |
| Inchi Key | URMHMMMIVAECEM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.65 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.479 |
| Compound Name | 9-Octadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.292 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 270.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6112062 |
| Inchi | InChI=1S/C18H38O/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3 |
| Smiles | CCCCCCCCCC(CCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients