Molecule ID: 11052745

IUPAC Name: (3R,4aS,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

Description: The molecule is an isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2R,4aR,8aS)-configuration. It has been isolated from termites. It has a role as an animal metabolite. It is a selinene and a member of octahydronaphthalenes.

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

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

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

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