Pentanoate | SBID = 1686 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 40.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| 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: | 85.9 | ||
| Sum Formula: | C5H9O2- | ||
| M / g/mol: | 101.12 | ||
| Complexity: | 53.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Pentanoate
- Preferred Abbreviation: Pentanoate
- IUPAC Name: pentanoate
- CAS: 10023-74-2
- CID: 114781
- InChiKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-M
- InChi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
- CanoSmiles: CCCCC(=O)[O-]
- IsoSmiles: CCCCC(=O)[O-]
