Cas no 54043-01-5 (Butaneperoxoic acid, 2,2,3,3-tetramethyl-, 1,1-dimethylethyl ester)

Butaneperoxoic acid, 2,2,3,3-tetramethyl-, 1,1-dimethylethyl ester structure
54043-01-5 structure
Product Name:Butaneperoxoic acid, 2,2,3,3-tetramethyl-, 1,1-dimethylethyl ester
CAS No:54043-01-5
MF:C12H24O3
MW:216.317164421082
CID:355704
PubChem ID:71364883
Update Time:2025-04-19

Butaneperoxoic acid, 2,2,3,3-tetramethyl-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butaneperoxoic acid, 2,2,3,3-tetramethyl-, 1,1-dimethylethyl ester
    • tert-butyl 2,2,3,3-tetramethylbutaneperoxoate
    • SCHEMBL17219115
    • DTXSID30788329
    • 54043-01-5
    • Inchi: 1S/C12H24O3/c1-10(2,3)12(7,8)9(13)14-15-11(4,5)6/h1-8H3
    • InChI Key: GUNHIKQPOMFTFT-UHFFFAOYSA-N
    • SMILES: O(C(C(C)(C)C(C)(C)C)=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 216.17262
  • Monoisotopic Mass: 216.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 228
  • 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: 3.7
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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