1-Octanoic acid | SBID = 879 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H16O2 | ||
| M / g/mol: | 144.21144 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 1-Octanoic acid
- Preferred Abbreviation: Octanoic acid
- IUPAC Name:
- CAS: 124-07-2
- CID: -272
- InChiKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
- InChi: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
- CanoSmiles: CCCCCCCC(=O)O
- IsoSmiles: CCCCCCCC(=O)O
