Molecule ID: 5281553

IUPAC Name: (3E)-3,7-dimethylocta-1,3,6-triene

Description: The molecule is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer). It has a role as a plant metabolite.

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

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

InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.3