Molecule ID: 86290096

IUPAC Name: (6Z,8E,12Z)-10-hydroperoxyoctadeca-6,8,12-trienoic acid

Description: The molecule is a hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 10. It derives from a gamma-linolenic acid. It is a conjugate acid of a 10-HPO(6,8,12)TrE(1-).

SMILES: CCCCC/C=C\CC(/C=C/C=C\CCCCC(=O)O)OO

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

InChI: InChI=1S/C18H30O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h6,8-9,11-12,15,17,21H,2-5,7,10,13-14,16H2,1H3,(H,19,20)/b9-6-,11-8-,15-12+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 4.8