chempirical

tert-Butyl peroxypivalate

C9H18O3CAS 927-07-1174.24 g/mol

Open in Covalent MOL file
OOO
Peroxide

Properties

Molecular formula
C9H18O3
Molar mass
174.24 g/mol
Exact mass
174.1256 Da
Density
0.9092 g/mL (at 20 °C)
Boiling point
63–65 °C (at NaN Torr)
logP
2.31Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
927-07-1
SMILES
CC(C)(C)OOC(=O)C(C)(C)C
InChIKey
OPQYOFWUFGEMRZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

24 names · show all
  • Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
  • Peroxypivalic acid, tert-butyl ester
  • tert-Butyl perpivalate
  • Lupersol 11
  • Trigonox 25/75
  • tert-Butyl 2,2-dimethylperoxypropionate
  • tert-Butyl trimethylperoxyacetate
  • tert-Butyl 2,2-dimethylpropaneperoxoate
  • Esperox 31M
  • tert-Butyl tert-valeryl peroxide
  • Perbutyl PV
  • Kayaester P
  • Kayaester P 70
  • Trigonox 25C75
  • Trigonox 25W33
  • Luperox 11M75
  • t-Butyl peroxypivalate
  • Trigonox 25
  • Luperox 11
  • t-Butyl perpivalate
  • Pivaloyl tert-butyl peroxide
  • TBPV
  • TX 25
  • C 32

Work with tert-Butyl peroxypivalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pivalic anhydride1538-75-652 % similar tert-Butyl peroxyacetate107-71-150 % similar Methyl pivalate598-98-148 % similar Ethyl pivalate3938-95-243 % similar Chloromethyl pivalate18997-19-841 % similar Vinyl pivalate3377-92-241 % similar Iodomethyl 2,2-dimethylpropanoate53064-79-241 % similar tert-Butyl peroxybenzoate614-45-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Hydroxynonanoic acid3788-56-5 Diisobutyl carbonate539-92-4 Dibutyl carbonate542-52-9

Elsewhere

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