Molecule ID: 22342471

IUPAC Name: (E)-3-methylhex-2-enoate

Description: The molecule is a monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (2E)-3-methylhex-2-enoic acid. It is a short-chain fatty acid anion and a monounsaturated fatty acid anion. It is a conjugate base of a (2E)-3-methylhex-2-enoic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.9