2-methyl-4-pentenoic acid | SBID = 1117 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 96.6 | ||
| Sum Formula: | C6H10O2 | ||
| M / g/mol: | 114.14 | ||
| Complexity: | 96.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: 2-methyl-4-pentenoic acid
- Preferred Abbreviation: 2-Methyl-4-pentenoic acid
- IUPAC Name: 2-methylpent-4-enoic acid
- CAS: 1575-74-2
- CID: 549519
- InChiKey: HVRZYSHVZOELOH-UHFFFAOYSA-N
- InChi: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
- CanoSmiles: CC(CC=C)C(=O)O
- IsoSmiles: CC(CC=C)C(=O)O
