Molecule ID: 136574

IUPAC Name: 2-heptylpropanedioic acid

Description: The molecule is a dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2. It has a role as a metabolite. It derives from a malonic acid.

SMILES: CCCCCCCC(C(=O)O)C(=O)O

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

InChI: InChI=1S/C10H18O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h8H,2-7H2,1H3,(H,11,12)(H,13,14)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 2.6