Molecule ID: 57339248

IUPAC Name: 2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate

Description: The molecule is a 4-oxo monocarboxylic acid anion that is the conjugate base of [(R)-2,2,3-trimethyl-2-oxocyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid.

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

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

InChI: InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.5