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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] octanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] octanoate CAS Name: octanoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] octanoate Traditional Name: caprylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H34O2 MolecularWeight: 282.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CC(CCC1C(C)C)C

Isomeric SMILES

CCCCCCCC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C

InChI

InChI=1S/C18H34O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h14-17H,5-13H2,1-4H3/t15-,16+,17-/m0/s1