5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-(3-methyl-1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione Traditional Name: 2-isovaleryl-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1C(=O)CC(CC1=O)(C)C

Isomeric SMILES

CC(C)CC(=O)C1C(=O)CC(CC1=O)(C)C

InChI

InChI=1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,12H,5-7H2,1-4H3