Molecule ID: 10931

IUPAC Name: 3-methylbut-2-enoic acid

Description: The molecule is a methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. It has a role as a plant metabolite. It is a monounsaturated fatty acid, a short-chain fatty acid, a methyl-branched fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It derives from a 2-butenoic acid.

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

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

InChI: InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.2