Cas no 52776-45-1 (2,2-Dimethoxyadamantane)

2,2-Dimethoxyadamantane structure
2,2-Dimethoxyadamantane structure
Product Name:2,2-Dimethoxyadamantane
CAS No:52776-45-1
MF:C12H20O2
MW:196.286004066467
CID:1029948
PubChem ID:11435532
Update Time:2025-04-20

2,2-Dimethoxyadamantane Chemical and Physical Properties

Names and Identifiers

    • 2,2-Dimethoxyadamantane
    • Adamantanone dimethyl acetal
    • Adamantanone dimethyl ketal
    • 2,2-Dimethoxy-Tricyclo[3.3.1.1(3,7)]decane
    • 52776-45-1
    • KBYRBNQCLOUQTN-UHFFFAOYSA-N
    • DTXSID00465756
    • AKOS006284189
    • AKOS015917960
    • SCHEMBL6160966
    • DB-292120
    • Inchi: 1S/C12H20O2/c1-13-12(14-2)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3
    • InChI Key: KBYRBNQCLOUQTN-UHFFFAOYSA-N
    • SMILES: O(C)C1(C2CC3CC(C2)CC1C3)OC

Computed Properties

  • Exact Mass: 196.1464
  • 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: 2
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 1.05±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 184 oC
  • Boiling Point: 245.3±13.0 oC (760 Torr),
  • Flash Point: 83.8±19.4 oC,
  • Solubility: Very slightly soluble (0.57 g/l) (25 o C),
  • PSA: 18.46

2,2-Dimethoxyadamantane Pricemore >>

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