Molecule ID: 16747

IUPAC Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid

Description: The molecule is a trans-chrysanthemic acid in which both stereocentres have R configuration. It derives from a (R,R)-chrysanthemal. It is a conjugate acid of a (R,R)-chrysanthemate. It is an enantiomer of a (-)-trans-chrysanthemic acid.

SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C

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

InChI: InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.4