3-butanoyl-2,4,4-trimethyl-cyclohexan-1-one

Systemtic Name: 3-butanoyl-2,4,4-trimethyl-cyclohexan-1-one Openeye Name: 3-butanoyl-2,4,4-trimethyl-cyclohexanone CAS Name: 2,4,4-trimethyl-3-(1-oxobutyl)-1-cyclohexanone IUPAC Name: 3-butanoyl-2,4,4-trimethylcyclohexan-1-one Traditional Name: 3-butyryl-2,4,4-trimethyl-cyclohexanone Formula: C13H22O2 MolecularWeight: 210.31258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(C(=O)CCC1(C)C)C

Isomeric SMILES

CCCC(=O)C1C(C(=O)CCC1(C)C)C

InChI

InChI=1S/C13H22O2/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h9,12H,5-8H2,1-4H3