Molecule ID: 440024

IUPAC Name: 4-methyl-3-oxopentanoic acid

Description: The molecule is a branched-chain fatty acid that is 4-methylpentanoic acid carrying an oxo substituent at C-3. It is a branched-chain fatty acid and a 3-oxo fatty acid. It derives from a valeric acid. It is a conjugate acid of a 4-methyl-3-oxopentanoate.

SMILES: CC(C)C(=O)CC(=O)O

SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.7