Molecule ID: 580944

IUPAC Name: 2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid

Description: The molecule is a cyclic dicarboxylic anhydride that is furan-2,5-dione substituted by at position 3 by a carboxymethyl group and a hexyl group at position 4. It has a role as a metabolite. It is a cyclic dicarboxylic anhydride, a member of furans and a dioxo monocarboxylic acid.

SMILES: CCCCCCC1=C(CC(=O)O)C(=O)OC1=O

SELFIES: [C][C][C][C][C][C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O]

InChI: InChI=1S/C12H16O5/c1-2-3-4-5-6-8-9(7-10(13)14)12(16)17-11(8)15/h2-7H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 80.7 Ų
- LogP: 2.3