Molecule ID: 10889018

IUPAC Name: (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane

Description: The molecule is a sesquiterpene and carbobicyclic compound that is bicyclo[2.2.1]heptane in which the hydrogens at position 3 are substituted by a methylidene group, while the 2-exo- and 2-endo- hydrogens are subsitituted by 2-methylpent-2-en-5-yl and methyl groups, respectively (the 1S,2R,4R enantiomer). It has a role as a plant metabolite. It is a sesquiterpene, a bridged compound, a carbobicyclic compound and a polycyclic olefin.

SMILES: C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)C

SELFIES: [C][=C][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@@][Ring1][#Branch1][Branch1][C][C][C][C][C][=C][Branch1][C][C][C]

InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.3