Molecule ID: 70678894

IUPAC Name: (1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 1-deoxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 1-deoxypentalenic acid.

SMILES: C[C@@H]1CC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@@]132

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

InChI: InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10-,12+,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 4.7