Molecule ID: 6999954

IUPAC Name: (3S)-3,7-dimethyloct-6-enoate

Description: The molecule is a monounsaturated fatty acid anion that is the conjugate base of (S)-citronellic acid, arising from the deprotonation of the carboxy group. It is a monounsaturated fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a (S)-citronellic acid.

SMILES: CC(C)=CCC[C@H](C)CC(=O)[O-]

SELFIES: [C][C][Branch1][C][C][=C][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/p-1/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.7