Cas no 85896-56-6 (methylcyclohexylidene hydroperoxide)

methylcyclohexylidene hydroperoxide structure
85896-56-6 structure
Product Name:methylcyclohexylidene hydroperoxide
CAS No:85896-56-6
MF:C7H14O4
MW:162.183662891388
CID:991184
PubChem ID:12100058
Update Time:2025-04-20

methylcyclohexylidene hydroperoxide Chemical and Physical Properties

Names and Identifiers

    • methylcyclohexylidene hydroperoxide
    • SCHEMBL18622389
    • 2-METHYLCYCLOHEXANE-1,1-DIPEROXOL
    • 1,1-Dihydroperoxy-2-methylcyclohexane
    • EINECS 288-834-3
    • 85896-56-6
    • DTXSID101006472
    • AHQOHECHYDRUNO-UHFFFAOYSA-N
    • Inchi: 1S/C7H14O4/c1-6-4-2-3-5-7(6,10-8)11-9/h6,8-9H,2-5H2,1H3
    • InChI Key: AHQOHECHYDRUNO-UHFFFAOYSA-N
    • SMILES: O(C1(CCCCC1C)OO)O

Computed Properties

  • Exact Mass: 162.08920892g/mol
  • Monoisotopic Mass: 162.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 122
  • 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: 1.1
  • Topological Polar Surface Area: 58.9?2
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