Molecule ID: 8294

IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl acetate

Description: The molecule is a monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender. It is an acetate ester and a monoterpenoid. It derives from a linalool.

SMILES: C=CC(C)(CCC=C(C)C)OC(C)=O

SELFIES: [C][=C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.3