(9Z)-12-hydroxyoctadec-9-enoate
PubChem CID: 46173162
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| Compound Synonyms | (9Z)-12-hydroxyoctadec-9-enoate, 12-hydroxyoleate, 12-hydroxy-(9Z)-octadecenoate, CHEBI:85150, Q27158361 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 256.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-12-hydroxyoctadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C18H33O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBHHMMIMDMUBKC-XFXZXTDPSA-M |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.781 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.602 |
| Compound Name | (9Z)-12-hydroxyoctadec-9-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 297.243 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 297.243 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 297.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.217645799999999 |
| Inchi | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b12-9- |
| Smiles | CCCCCCC(C/C=C\CCCCCCCC(=O)[O-])O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients