Structure via PubChem · Public domain (PubChem)
isocaproic acid
Sign in to saveAlso known as 4-Methyl-N-valeric acid, 4-Methyl-pentanoic acid, Isohexoic acid, Isobutylacetic acid, 4-Methyl-Valeric acid, Isohexanoic acid, 4,4-Dimethylbutanoic acid, 4-Methylvaleric acid
chemical compound
Chemical data
- Formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
- IUPAC name
- 4-methylpentanoic acid
- SMILES
- CC(C)CCC(=O)O
- InChIKey
- FGKJLKRYENPLQH-UHFFFAOYSA-N
- XLogP
- 1.4
- Polar surface area
- 37.3 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 116.084
Show 5 more facts
- found in taxon
- Streptomyces
- chemical formula
- C₆H₁₂O₂
- canonical SMILES
- CC(C)CCC(=O)O
- melting point
- -35.0
- Commons category
- 4-Methylpentanoic acid
via Wikidata · CC0