Molecule ID: 6449780

IUPAC Name: (Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid

Description: The molecule is an optically active form of vernolic acid having (12S,13R)-configuration. It is a vernolic acid and an oxylipin. It is an enantiomer of a (-)-vernolic acid.

SMILES: CCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCC(=O)O

SELFIES: [C][C][C][C][C][C@H1][O][C@H1][Ring1][Ring1][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 5.6