Molecule ID: 1549025

IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate

Description: The molecule is an acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is an acetate ester, a monoterpenoid and an olefinic compound. It derives from a nerol.

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

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

InChI: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.5