3-tert-butyl-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-tert-butyl-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-tert-butyl-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-tert-butyl-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-tert-butyl-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-tert-butyl-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C13H22O MolecularWeight: 194.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)C(C)(C)C

InChI

InChI=1S/C13H22O/c1-9-10(14)7-8-13(5,6)11(9)12(2,3)4/h7-8H2,1-6H3