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

• CAT Number: L034386
• CAS Number: 1262769-43-6
• Molecular Formula: C13H20O3
• Molecular Weight: 224.3
• Purity: ≥95%
• IUPAC Name: 5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione
• 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
• InChIKey: HNPWTDUZIXAJSA-UHFFFAOYSA-N
• SMILES: CC(C)CC(=O)C1C(=O)CC(CC1=O)(C)C

5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione is a diketone with a cyclohexane ring substituted at the 2-position by a 3-methylbutanoyl group and two methyl groups at the 5-positions. This compound’s structure provides significant stability and unique reactivity, making it valuable in synthetic organic chemistry, particularly as an intermediate for complex molecule synthesis. Its diketone functionality is useful in enolate chemistry and enables applications in the synthesis of pharmaceuticals, agrochemicals, and materials with specific electronic or structural properties.