Molecule ID: 5282857

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

Description: The molecule is a C18 long-chain hydroperoxy fatty acid having E and Z double bonds at C-8 and C-12, respectively, and a hydroperoxy group at C-10. It is a hydroperoxy fatty acid, a polyunsaturated fatty acid and a long-chain fatty acid.

SMILES: CCCCC/C=C\CC(/C=C/CCCCCCC(=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/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.3