Molecule ID: 129900417

IUPAC Name: 6-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanoate

Description: The molecule is an oxo monocarboxylic acid anion that is the conjugate base of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid.

SMILES: CC/C=C\C[C@H]1C(=O)CC[C@H]1CCCCCC(=O)[O-]

SELFIES: [C][C][/C][=C][\C][C@H1][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C16H26O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,13-14H,2,4,6-12H2,1H3,(H,18,19)/p-1/b5-3-/t13-,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 4.2