Molecule ID: 6443739

IUPAC Name: (E)-3-methylhex-2-enoic acid

Description: The molecule is a monounsaturated fatty acid that is (2E)-hexenoic acid in which the hydrogen at position 3 has been replaced by a methyl group. A malodourous component in the sweat of schizophrenics. It is a short-chain fatty acid, a monounsaturated fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from a (2E)-hexenoic acid. It is a conjugate acid of a (2E)-3-methylhex-2-enoate.

SMILES: CCC/C(C)=C/C(=O)O

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

InChI: InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.2