Molecule ID: 5460659

IUPAC Name: (4R,4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

Description: The molecule is a sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene substituted by methyl groups at positions 4 and 4a and a prop-1-en-2-yl group at position 6 (the 4R,4aR,6R-stereoisomer). It has a role as a plant metabolite. It is a sesquiterpene, a carbobicyclic compound and a member of octahydronaphthalenes.

SMILES: C=C(C)[C@@H]1CC=C2CCC[C@@H](C)[C@@]2(C)C1

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

InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.2