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

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanenitrile Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetonitrile CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetonitrile IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetonitrile Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetonitrile Formula: C12H21NO MolecularWeight: 195.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC#N)C(C)C

InChI

InChI=1S/C12H21NO/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-12H,4-5,7-8H2,1-3H3/t10-,11+,12-/m0/s1