4-[(1R,3R,5S)-1,3-dimethyl-5-oxidanyl-cyclohexyl]butanenitrile

Systemtic Name: 4-[(1R,3R,5S)-1,3-dimethyl-5-oxidanyl-cyclohexyl]butanenitrile Openeye Name: 4-[(1R,3S,5R)-3-hydroxy-1,5-dimethyl-cyclohexyl]butanenitrile CAS Name: 4-[(1R,3S,5R)-3-hydroxy-1,5-dimethylcyclohexyl]butanenitrile IUPAC Name: 4-[(1R,3S,5R)-3-hydroxy-1,5-dimethylcyclohexyl]butanenitrile Traditional Name: 4-[(1R,3S,5R)-3-hydroxy-1,5-dimethyl-cyclohexyl]butyronitrile Formula: C12H21NO MolecularWeight: 195.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)CCCC#N)O

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO/c1-10-7-11(14)9-12(2,8-10)5-3-4-6-13/h10-11,14H,3-5,7-9H2,1-2H3/t10-,11-,12+/m0/s1