Molecule ID: 23623724

IUPAC Name: [(3S)-3,7-dimethyloct-7-enyl] 2-phenylacetate

Description: The molecule is a carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol. It has a role as a flavouring agent. It is a carboxylic ester and an olefinic compound. It derives from a phenylacetic acid.

SMILES: C=C(C)CCC[C@H](C)CCOC(=O)Cc1ccccc1

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

InChI: InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 5.7