Molecule ID: 14525

IUPAC Name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

Description: The molecule is a carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare). It has a role as a plant metabolite. It is a fenchane monoterpenoid, a cyclic terpene ketone and a carbobicyclic compound.

SMILES: CC12CCC(C1)C(C)(C)C2=O

SELFIES: [C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=O]

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

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