Octanoate | SBID = 1692 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.7 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 124.8 | ||
| Sum Formula: | C8H15O2- | ||
| M / g/mol: | 143.2 | ||
| Complexity: | 83.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Octanoate
- Preferred Abbreviation: octanoate
- IUPAC Name: octanoate
- CAS: 74-81-7
- CID: 119389
- InChiKey: WWZKQHOCKIZLMA-UHFFFAOYSA-M
- InChi: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
- CanoSmiles: CCCCCCCC(=O)[O-]
- IsoSmiles: CCCCCCCC(=O)[O-]
