Molecule ID: 19872

IUPAC Name: 2-ethyloctanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2. It has a role as a metabolite. It derives from a suberic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 2.0