Cas no 87802-24-2 (1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-)

1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)- structure
87802-24-2 structure
Product Name:1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-
CAS No:87802-24-2
MF:C8H15BrO2
MW:223.107502222061
CID:652225
PubChem ID:71412102
Update Time:2025-04-19

1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane, 2-(2-bromo-1,1-dimethylethyl)-
    • 2-(1-bromo-2-methylpropan-2-yl)-1,3-dioxane
    • 87802-24-2
    • DTXSID00831674
    • Inchi: 1S/C8H15BrO2/c1-8(2,6-9)7-10-4-3-5-11-7/h7H,3-6H2,1-2H3
    • InChI Key: SLZZHLVGJBIFBM-UHFFFAOYSA-N
    • SMILES: BrCC(C)(C)C1OCCCO1

Computed Properties

  • Exact Mass: 222.02554g/mol
  • Monoisotopic Mass: 222.02554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 119
  • 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
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