Molecule ID: 6438758

IUPAC Name: (8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoic acid

Description: The molecule is the 8(R)-isomer of HPODE. It is a HPODE and an octadecanoid. It derives from a linoleic acid. It is a conjugate acid of an 8(R)-HPODE(1-).

SMILES: CCCCC/C=C\C/C=C\[C@@H](CCCCCCC(=O)O)OO

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C@@H1][Branch1][N][C][C][C][C][C][C][C][=Branch1][C][=O][O][O][O]

InChI: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.1