Molecule ID: 102085540

IUPAC Name: (5Z,8Z,11Z)-13-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid

Description: The molecule is an epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,11Z)-icosatrienoic acid having the epoxide group across positions 14-15 and the hydroxy substituent located at position 13. It is an epoxy(hydroxy)icosatrienoic acid and a secondary allylic alcohol. It is a conjugate acid of a 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate.

SMILES: CCCCCC1OC1C(O)/C=C\C/C=C\C/C=C\CCCC(=O)O

SELFIES: [C][C][C][C][C][C][O][C][Ring1][Ring1][C][Branch1][C][O][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,14-12-

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.2