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5-Hexenoic acid | SBID = 1116 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 97.2 | ||
| Sum Formula: | C6H10O2 | ||
| M / g/mol: | 114.14 | ||
| Complexity: | 86.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: 5-Hexenoic acid
- Preferred Abbreviation: 5-Hexenoic acid
- IUPAC Name: hex-5-enoic acid
- CAS: 1577-22-6
- CID: 15308
- InChiKey: XUDOZULIAWNMIU-UHFFFAOYSA-N
- InChi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
- CanoSmiles: C=CCCCC(=O)O
- IsoSmiles: C=CCCCC(=O)O
