Cas no 761-70-6 (Hydroperoxide,1-ethylpentyl)

Hydroperoxide,1-ethylpentyl structure
Hydroperoxide,1-ethylpentyl structure
Product Name:Hydroperoxide,1-ethylpentyl
CAS No:761-70-6
MF:C7H16O2
MW:132.200742721558
CID:574241
PubChem ID:136578
Update Time:2025-04-19

Hydroperoxide,1-ethylpentyl Chemical and Physical Properties

Names and Identifiers

    • Hydroperoxide,1-ethylpentyl
    • 3-hydroperoxyheptane
    • 3-Hydroperoxy-n-heptane
    • Heptan-3-yl hydroperoxide
    • 761-70-6
    • DTXSID40997465
    • HEPTANE-3-PEROXOL
    • Inchi: 1S/C7H16O2/c1-3-5-6-7(4-2)9-8/h7-8H,3-6H2,1-2H3
    • InChI Key: RCPMMXGHMBPBLI-UHFFFAOYSA-N
    • SMILES: O(C(CC)CCCC)O

Computed Properties

  • Exact Mass: 132.11508
  • Monoisotopic Mass: 132.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 54.9
  • 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: 2.3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46
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