Cas no 55627-02-6 (Bicyclo[2.2.1]heptan-2-ol,5,5-dimethyl-6-methylene-, 2-acetate, (1S,2R,4S)-)

Bicyclo[2.2.1]heptan-2-ol,5,5-dimethyl-6-methylene-, 2-acetate, (1S,2R,4S)- structure
55627-02-6 structure
Product Name:Bicyclo[2.2.1]heptan-2-ol,5,5-dimethyl-6-methylene-, 2-acetate, (1S,2R,4S)-
CAS No:55627-02-6
MF:C12H18O2
MW:194.270123958588
CID:386218
PubChem ID:185812
Update Time:2025-04-19

Bicyclo[2.2.1]heptan-2-ol,5,5-dimethyl-6-methylene-, 2-acetate, (1S,2R,4S)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptan-2-ol,5,5-dimethyl-6-methylene-, 2-acetate, (1S,2R,4S)-
    • 5,5-Dimethyl-6-methylenebicyclo[2.2.1]hept-2-yl acetate
    • (2,2-dimethyl-3-methylidene-5-bicyclo[2.2.1]heptanyl) acetate
    • DTXSID10970967
    • Nojigiku acetate
    • 55627-02-6
    • GVZSSHYAFJPRJY-UHFFFAOYSA-N
    • 5,5-Dimethyl-6-methylenebicyclo[2.2.1]hept-2-yl acetate #
    • 5,5-DIMETHYL-6-METHYLIDENEBICYCLO[2.2.1]HEPTAN-2-YL ACETATE
    • Bicyclo[2.2.1]heptane-3-methylene-2,2-dimethyl-5-ol acetate
    • Inchi： 1S/C12H18O2/c1-7-10-5-9(12(7,3)4)6-11(10)14-8(2)13/h9-11H,1,5-6H2,2-4H3
    • InChI Key： GVZSSHYAFJPRJY-UHFFFAOYSA-N
    • SMILES： O(C(C)=O)C1CC2CC1C(=C)C2(C)C

Computed Properties

  • Exact Mass: 194.13074
  • Monoisotopic Mass: 194.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 291
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.02
  • Boiling Point: 232.8°Cat760mmHg
  • Flash Point: 85.7°C
  • Refractive Index: 1.488
  • PSA: 26.3

Bicyclo[2.2.1]heptan-2-ol,5,5-dimethyl-6-methylene-, 2-acetate, (1S,2R,4S)- Related Literature

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