Cas no 2022748-74-7 (1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione)

1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione is a specialized cyclic diketone compound featuring a unique structural combination of a dimethylcyclopropyl group and a methyl-substituted hexane backbone. This configuration imparts distinct reactivity and stability, making it valuable in synthetic organic chemistry applications, particularly as an intermediate in the preparation of complex molecules. The compound's rigid cyclopropyl moiety enhances steric control in reactions, while the diketone functionality offers versatile reactivity for condensation or cyclization processes. Its well-defined structure ensures consistent performance in fine chemical synthesis, and its stability under various conditions makes it suitable for use in controlled reaction environments.
1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione structure
2022748-74-7 structure
Product Name:1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione
CAS No:2022748-74-7
MF:C12H20O2
MW:196.286004066467
CID:5760219
PubChem ID:165483920
Update Time:2025-10-07

1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(2,2-dimethylcyclopropyl)-2-methylhexane-1,3-dione
    • 2022748-74-7
    • EN300-1127538
    • 1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione
    • Inchi: 1S/C12H20O2/c1-5-6-10(13)8(2)11(14)9-7-12(9,3)4/h8-9H,5-7H2,1-4H3
    • InChI Key: KZONJMYPMFMQBA-UHFFFAOYSA-N
    • SMILES: O=C(C(C)C(CCC)=O)C1CC1(C)C

Computed Properties

  • Exact Mass: 196.146329876g/mol
  • Monoisotopic Mass: 196.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 253
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 34.1?2

1-(2,2-Dimethylcyclopropyl)-2-methylhexane-1,3-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1127538-0.05g
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Enamine
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Enamine
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Enamine
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