Cas no 5618-63-3 (Tertiary-butylhydroperoxide)

Tertiary-butylhydroperoxide structure
Tertiary-butylhydroperoxide structure
Product Name:Tertiary-butylhydroperoxide
CAS No:5618-63-3
MF:C4H10O2
MW:90.1210017204285
CID:2667129
PubChem ID:13651101
Update Time:2025-04-21

Tertiary-butylhydroperoxide Chemical and Physical Properties

Names and Identifiers

    • 1-hydroperoxy-2-methylpropane
    • Tertiary-butylhydroperoxide
    • DTXSID80545868
    • I-butyl hydroperoxide
    • 5618-63-3
    • 2-Methylpropane-1-peroxol
    • isobutyl hydroperoxide
    • Inchi: 1S/C4H10O2/c1-4(2)3-6-5/h4-5H,3H2,1-2H3
    • InChI Key: FUHWWEDRJKHMKK-UHFFFAOYSA-N
    • SMILES: O(CC(C)C)O

Computed Properties

  • Exact Mass: 90.068079557g/mol
  • Monoisotopic Mass: 90.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 26.7
  • 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: 0.9
  • Topological Polar Surface Area: 29.5?2
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