[(1S,2S)-2-(3-methylbutyl)cyclohexyl] propanoate

Systemtic Name: [(1S,2S)-2-(3-methylbutyl)cyclohexyl] propanoate Openeye Name: [(1S,2S)-2-isopentylcyclohexyl] propanoate CAS Name: propanoic acid [(1S,2S)-2-(3-methylbutyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-(3-methylbutyl)cyclohexyl] propanoate Traditional Name: propionic acid [(1S,2S)-2-isoamylcyclohexyl] ester Formula: C14H26O2 MolecularWeight: 226.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCCCC1CCC(C)C

Isomeric SMILES

CCC(=O)O[C@H]1CCCC[C@H]1CCC(C)C

InChI

InChI=1S/C14H26O2/c1-4-14(15)16-13-8-6-5-7-12(13)10-9-11(2)3/h11-13H,4-10H2,1-3H3/t12-,13-/m0/s1