oleic acid | SBID = 2008 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 7.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 1.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 251.1 | ||
| Sum Formula: | C18H33O2- | ||
| M / g/mol: | 281.5 | ||
| Complexity: | 228.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: oleic acid
- Preferred Abbreviation: oleate
- IUPAC Name: (Z)-octadec-9-enoate
- CAS:
- CID: 5460221
- InChiKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-M
- InChi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-
- CanoSmiles: CCCCCCCCC=CCCCCCCCC(=O)[O-]
- IsoSmiles: CCCCCCCC/C=C\CCCCCCCC(=O)[O-]
