Molecule ID: 82229

IUPAC Name: (1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

Description: The molecule is a fenchone that has (1R,4S)-stereochemistry. It is a constituent of the essential oils obtained from fennel. It has a role as a plant metabolite. It is an enantiomer of a (1S,4R)-fenchone.

SMILES: CC1(C)C(=O)[C@]2(C)CC[C@H]1C2

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

InChI: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.3