Molecule ID: 54686805

IUPAC Name: 4-hydroxy-6-(2-oxoheptyl)pyran-2-one

Description: The molecule is a pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and 2-oxoheptyl groups respectively. It has a role as a metabolite. It is a polyketide and a member of 2-pyranones.

SMILES: CCCCCC(=O)Cc1cc(O)cc(=O)o1

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

InChI: InChI=1S/C12H16O4/c1-2-3-4-5-9(13)6-11-7-10(14)8-12(15)16-11/h7-8,14H,2-6H2,1H3

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.7