Cas no 13393-69-6 (Hydroperoxide, 1,1-dimethylhexyl)

Hydroperoxide, 1,1-dimethylhexyl structure
13393-69-6 structure
Product Name:Hydroperoxide, 1,1-dimethylhexyl
CAS No:13393-69-6
MF:C8H18O2
MW:146.227323055267
CID:96726
PubChem ID:12809145
Update Time:2025-04-18

Hydroperoxide, 1,1-dimethylhexyl Chemical and Physical Properties

Names and Identifiers

    • Hydroperoxide, 1,1-dimethylhexyl
    • 1,1-Dimethylhexyl hydroperoxide
    • 2-hydroperoxy-2-methylheptane
    • DTXSID00510412
    • 2-METHYLHEPTANE-2-PEROXOL
    • 13393-69-6
    • SCHEMBL3840215
    • Inchi: 1S/C8H18O2/c1-4-5-6-7-8(2,3)10-9/h9H,4-7H2,1-3H3
    • InChI Key: UVALTZBZKMZQMM-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)CCCCC)O

Computed Properties

  • Exact Mass: 146.13074
  • Monoisotopic Mass: 146.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 79.3
  • 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: 2.5
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46
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