Molecule ID: 46187193

IUPAC Name: (1S,2R,4S,5R)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene

Description: The molecule is a carbobicyclic compound that is bicyclo[3.2.1]oct-6-ene which is substituted by a methylene group at position 3 and by methyl groups at the 1,2,4,5,6,7, and 8-anti positions. It is the major volatile component released by the rhizobacterium Serratia odorifera. It has a role as a bacterial metabolite. It is a sesquiterpene, a carbobicyclic compound, an olefinic compound and a volatile organic compound.

SMILES: C=C1[C@@H](C)[C@]2(C)C(C)=C(C)[C@@](C)(C2C)[C@H]1C

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

InChI: InChI=1S/C16H26/c1-9-10(2)15(7)12(4)13(5)16(8,11(9)3)14(15)6/h10-11,14H,1H2,2-8H3/t10-,11+,14?,15-,16+

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.1