Cas no 136829-88-4 (Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester)

Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester structure
136829-88-4 structure
Product Name:Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
CAS No:136829-88-4
MF:C17H34O3
MW:286.45006608963
CID:1241473
PubChem ID:71341479
Update Time:2025-04-20

Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester Chemical and Physical Properties

Names and Identifiers

    • Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
    • 2,4,4-trimethylpentan-2-yl 6,6-dimethylheptaneperoxoate
    • 136829-88-4
    • SCHEMBL25324798
    • DTXSID80768398
    • Inchi: 1S/C17H34O3/c1-15(2,3)12-10-9-11-14(18)19-20-17(7,8)13-16(4,5)6/h9-13H2,1-8H3
    • InChI Key: QWBQEYPKFKTAQW-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)CC(C)(C)C)OC(CCCCC(C)(C)C)=O

Computed Properties

  • Exact Mass: 286.25079494g/mol
  • Monoisotopic Mass: 286.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 10
  • Complexity: 292
  • 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: 6
  • Topological Polar Surface Area: 35.5?2
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