Molecule ID: 91698819

IUPAC Name: icosane-5,7-dione

Description: The molecule is a beta-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups. It has a role as a mouse metabolite and a rat metabolite. It derives from a hydride of an icosane.

SMILES: CCCCCCCCCCCCCC(=O)CC(=O)CCCC

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

InChI: InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 7.4