2-(1,3,3,5,5-pentamethylcyclohexyl)ethanenitrile

Systemtic Name: 2-(1,3,3,5,5-pentamethylcyclohexyl)ethanenitrile Openeye Name: 2-(1,3,3,5,5-pentamethylcyclohexyl)acetonitrile CAS Name: 2-(1,3,3,5,5-pentamethylcyclohexyl)acetonitrile IUPAC Name: 2-(1,3,3,5,5-pentamethylcyclohexyl)acetonitrile Traditional Name: 2-(1,3,3,5,5-pentamethylcyclohexyl)acetonitrile Formula: C13H23N MolecularWeight: 193.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CC#N)(C)C)C

Isomeric SMILES

CC1(CC(CC(C1)(C)CC#N)(C)C)C

InChI

InChI=1S/C13H23N/c1-11(2)8-12(3,4)10-13(5,9-11)6-7-14/h6,8-10H2,1-5H3