Cas no 93704-87-1 (2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl-)

2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl- structure
93704-87-1 structure
Product Name:2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl-
CAS No:93704-87-1
MF:C9H16O
MW:140.222743034363
CID:735554
PubChem ID:71330055
Update Time:2025-04-19

2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl-
    • 2,4-dimethyl-3-oxabicyclo[2.2.2]octane
    • DTXSID80758810
    • 1,3-Dimethyl-2-oxabicyclo[2.2.2]octane
    • 93704-87-1
    • SCHEMBL15778806
    • Inchi: 1S/C9H16O/c1-7-8-3-5-9(2,10-7)6-4-8/h7-8H,3-6H2,1-2H3
    • InChI Key: UHAYVNRWODBYLM-UHFFFAOYSA-N
    • SMILES: O1C(C)C2CCC1(C)CC2

Computed Properties

  • Exact Mass: 140.120115130g/mol
  • Monoisotopic Mass: 140.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 9.2?2
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