Molecule ID: 57339216

IUPAC Name: 2-[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-en-1-yl]acetate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid.

SMILES: CC1=C([O-])C[C@@H](CC(=O)O)C1(C)C

SELFIES: [C][C][=C][Branch1][C][O-1][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][Branch1][C][C][C]

InChI: InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h7,11H,4-5H2,1-3H3,(H,12,13)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 1.9