Molecule ID: 5282889

IUPAC Name: methyl (E)-11-[6-[(E)-3-hydroperoxypent-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]undec-10-enoate

Description: The molecule is a lipid hydroperoxide that consists of 2,3-dioxabicyclo[2.2.1]heptane substituted by a 11-methoxy-11-oxoundec-1-en-1-yl and a 3-hydroperoxypent-1-en-1-yl groups at positions 5 and 6 respectively. It is a lipid hydroperoxide and a fatty acid methyl ester.

SMILES: CCC(/C=C/C1C2CC(OO2)C1/C=C/CCCCCCCCC(=O)OC)OO

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

InChI: InChI=1S/C22H36O6/c1-3-17(26-24)14-15-19-18(20-16-21(19)28-27-20)12-10-8-6-4-5-7-9-11-13-22(23)25-2/h10,12,14-15,17-21,24H,3-9,11,13,16H2,1-2H3/b12-10+,15-14+

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 4.9