[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methyl octanoate

Systemtic Name: [(1S,2S)-2-(hydroxymethyl)cyclohexyl]methyl octanoate Openeye Name: [(1S,2S)-2-(hydroxymethyl)cyclohexyl]methyl octanoate CAS Name: octanoic acid [(1S,2S)-2-(hydroxymethyl)cyclohexyl]methyl ester IUPAC Name: [(1S,2S)-2-(hydroxymethyl)cyclohexyl]methyl octanoate Traditional Name: caprylic acid [(1S,2S)-2-methylolcyclohexyl]methyl ester Formula: C16H30O3 MolecularWeight: 270.4076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1CCCCC1CO

Isomeric SMILES

CCCCCCCC(=O)OC[C@H]1CCCC[C@@H]1CO

InChI

InChI=1S/C16H30O3/c1-2-3-4-5-6-11-16(18)19-13-15-10-8-7-9-14(15)12-17/h14-15,17H,2-13H2,1H3/t14-,15-/m1/s1