Molecule ID: 134822044

IUPAC Name: (2E,6S,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal

Description: The molecule is an 8-oxocitronellyl enol in which the chiral centre has S configuration. It is an enantiomer of a (R)-8-oxocitronellyl enol.

SMILES: C/C(C=O)=C\CC[C@H](C)/C=C/O

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

InChI: InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-9,11H,3-4H2,1-2H3/b7-6+,10-5+/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.1