Molecule ID: 129320457

IUPAC Name: (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene

Description: The molecule is a tricyclic sesquiterpene with formula C15H24 which is biosynthesised from farnesyl diphosphate by a diterpene cyclase enzyme from Dictyostelium discoideum. It is a sesquiterpene, a carbotricyclic compound and a polycyclic olefin.

SMILES: CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@H]12

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

InChI: InChI=1S/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.7