2-(3,3,4-trimethyl-5-bicyclo[2.2.2]octanyl)ethanenitrile

Systemtic Name: 2-(3,3,4-trimethyl-5-bicyclo[2.2.2]octanyl)ethanenitrile Openeye Name: 2-(3,3,4-trimethyl-5-bicyclo[2.2.2]octanyl)acetonitrile CAS Name: 2-(3,3,4-trimethyl-5-bicyclo[2.2.2]octanyl)acetonitrile IUPAC Name: 2-(3,3,4-trimethyl-5-bicyclo[2.2.2]octanyl)acetonitrile Traditional Name: 2-(3,3,4-trimethyl-5-bicyclo[2.2.2]octanyl)acetonitrile Formula: C13H21N MolecularWeight: 191.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CCC1(C(C2)CC#N)C)C

Isomeric SMILES

CC1(CC2CCC1(C(C2)CC#N)C)C

InChI

InChI=1S/C13H21N/c1-12(2)9-10-4-6-13(12,3)11(8-10)5-7-14/h10-11H,4-6,8-9H2,1-3H3