[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-propyloctanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-propyloctanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-propyloctanoate CAS Name: (2S)-2-propyloctanoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-propyloctanoate Traditional Name: (2S)-2-propylcaprylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H40O2 MolecularWeight: 324.5411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)C(=O)OC1CC(CCC1C(C)C)C

Isomeric SMILES

CCCCCC[C@H](CCC)C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C

InChI

InChI=1S/C21H40O2/c1-6-8-9-10-12-18(11-7-2)21(22)23-20-15-17(5)13-14-19(20)16(3)4/h16-20H,6-15H2,1-5H3/t17-,18-,19+,20-/m0/s1