Cas no 119124-61-7 (7-Oxabicyclo[4.1.0]heptane,1,5,5-trimethyl-)

7-Oxabicyclo[4.1.0]heptane,1,5,5-trimethyl- structure
119124-61-7 structure
Product Name:7-Oxabicyclo[4.1.0]heptane,1,5,5-trimethyl-
CAS No:119124-61-7
MF:C9H16O
MW:140.222743034363
CID:132087
Update Time:2024-01-25

7-Oxabicyclo[4.1.0]heptane,1,5,5-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 7-Oxabicyclo[4.1.0]heptane,1,5,5-trimethyl-
    • 7-Oxabicyclo[4.1.0]heptane, 1,5,5-trimethyl-
    • Inchi: 1S/C9H16O/c1-8(2)5-4-6-9(3)7(8)10-9/h7H,4-6H2,1-3H3
    • InChI Key: AHIVAUWCTZBWNE-UHFFFAOYSA-N
    • SMILES: C12(C)C(O1)C(C)(C)CCC2

Computed Properties

  • Exact Mass: 140.12
  • Monoisotopic Mass: 140.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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
  • Topological Polar Surface Area: 12.5A^2

Experimental Properties

  • Density: 0.938±0.06 g/cm3(Predicted)
  • Boiling Point: 154.1±8.0 °C(Predicted)
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