Cas no 766-07-4 (Hydroperoxide,cyclohexyl)

Hydroperoxide,cyclohexyl structure
Hydroperoxide,cyclohexyl structure
Product Name:Hydroperoxide,cyclohexyl
CAS No:766-07-4
MF:C6H12O2
MW:116.158282279968
CID:564154
PubChem ID:69835
Update Time:2025-04-19

Hydroperoxide,cyclohexyl Chemical and Physical Properties

Names and Identifiers

    • Hydroperoxide,cyclohexyl
    • CYCLOHEXYL HYDROPEROXIDE
    • hydroperoxycyclohexane
    • Cyclohexane hydroperoxide
    • SCHEMBL1758112
    • hydroperoxy-cyclohexane
    • DTXSID90227401
    • Q11307091
    • EINECS 212-159-5
    • UNII-ZR4UH5MC4C
    • SCHEMBL221594
    • SCHEMBL9067135
    • Hydroperoxide, cyclohexyl
    • NS00037814
    • ZR4UH5MC4C
    • FGGJBCRKSVGDPO-UHFFFAOYSA-N
    • AKOS015907057
    • 766-07-4
    • Inchi: 1S/C6H12O2/c7-8-6-4-2-1-3-5-6/h6-7H,1-5H2
    • InChI Key: FGGJBCRKSVGDPO-UHFFFAOYSA-N
    • SMILES: O(C1CCCCC1)O

Computed Properties

  • Exact Mass: 116.08376
  • Monoisotopic Mass: 116.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 57.5
  • 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
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.0150
  • Melting Point: -20°C
  • Boiling Point: 216.85°C (estimate)
  • Flash Point: 74.8°C
  • Refractive Index: 1.4638 (estimate)
  • PSA: 29.46
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