Molecule ID: 22169183

IUPAC Name: 6-methylheptyl dodecanoate

Description: The molecule is a dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 6-methylheptan-1-ol. It derives from a 6-methylheptan-1-ol.

SMILES: CCCCCCCCCCCC(=O)OCCCCCC(C)C

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

InChI: InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-14-17-20(21)22-18-15-12-13-16-19(2)3/h19H,4-18H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 8.4