Molecule ID: 6420237

IUPAC Name: 1-O-octadecyl 2-O-prop-2-enyl oxalate

Description: The molecule is a diester obtained by the formal condensation of both the carboxy group of oxalic acid with the hydroxy groups of allyl alcohol and stearyl alcohol respectively. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a diester and a member of dicarboxylic acids and O-substituted derivatives. It derives from an allyl alcohol, an oxalic acid and an octadecan-1-ol.

SMILES: C=CCOC(=O)C(=O)OCCCCCCCCCCCCCCCCCC

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

InChI: InChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-23(25)22(24)26-20-4-2/h4H,2-3,5-21H2,1H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 9.9