Molecule ID: 132274130

IUPAC Name: (1Z,3E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraene

Description: The molecule is a diterpene that is cyclotetradeca-1,3,7,11-tetraene which is substituted by methyl groups at positions 1, 7, and 11, and by an isopropyl group at position 4 (the 1Z,3E,7E,11E isomer). It is a constituent of the essential oils from Pinus koraiensis and Pinus sibirica. It has a role as a plant metabolite. It is a monocyclic hydrocarbon, a diterpene and a macrocycle.

SMILES: C/C1=C/C=C(/C(C)C)CC/C(C)=C/CC/C(C)=C/CC1

SELFIES: [C][/C][=C][/C][=C][Branch1][=Branch1][/C][Branch1][C][C][C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,14,16H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12-,19-11+,20-14+

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.4