Showing Metabocard for (9Z)-octadecenoate (BASm0001775)
| Common Name | (9z)-octadecenoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C18H33O2 |
| Average Mass | 281.45340 |
| Monoisotopic Mass | 281.24806 |
| IUPAC Name | (9Z)-octadec-9-enoic acid |
| Traditional Name | Oleic acid |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)[O-] |
| InChI Identifier | 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- |
| InChI Key | ZQPPMHVWECSIRJ-KTKRTIGZSA-M |
| CHEBI ID | CHEBI:30823 |
| MiMeDB ID | MMDBc0054081 |
| State | Expected Solid |
| Water Solubility | 1.21e-04 g/l |
| logP | 7.68 |
| logS | -6.37 |
| pKa (Strongest Acidic) | 4.99 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 15 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 87.40 m³·mol⁻¹ |
| Polarizability | 37.09 |