Cas no 82604-59-9 (Butane, 1,4-bis(1,1-dimethylethoxy)-)

Butane, 1,4-bis(1,1-dimethylethoxy)- structure
82604-59-9 structure
Product Name:Butane, 1,4-bis(1,1-dimethylethoxy)-
CAS No:82604-59-9
MF:C12H26O2
MW:202.333644390106
CID:687417
PubChem ID:20444530
Update Time:2025-04-19

Butane, 1,4-bis(1,1-dimethylethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Butane, 1,4-bis(1,1-dimethylethoxy)-
    • 1,4-bis[(2-methylpropan-2-yl)oxy]butane
    • 1,4-Di-tert-butoxybutane
    • 82604-59-9
    • DTXSID50607240
    • SCHEMBL10932413
    • Inchi： 1S/C12H26O2/c1-11(2,3)13-9-7-8-10-14-12(4,5)6/h7-10H2,1-6H3
    • InChI Key： AWLBJSPDFPOVCZ-UHFFFAOYSA-N
    • SMILES： O(CCCCOC(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 202.193280068g/mol
  • Monoisotopic Mass: 202.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 121
  • 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: 2.6
  • Topological Polar Surface Area: 18.5?2

Butane, 1,4-bis(1,1-dimethylethoxy)- Related Literature

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