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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(CC#N)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO/c1-9(2)11-5-4-10(3)8-12(11,14)6-7-13/h9-11,14H,4-6,8H2,1-3H3/t10-,11+,12-/m1/s1