Molecule ID: 4275592

IUPAC Name: 4-methylpentanoate

Description: The molecule is a branched-chain saturated fatty acid anion that is pentanoate with a methyl group substituent at position 4. It has a role as a metabolite. It is a branched-chain saturated fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of an isocaproic acid.

SMILES: CC(C)CCC(=O)[O-]

SELFIES: [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.1