chempirical

2,2-Bis(tert-butylperoxy)butane

C12H26O4CAS 2167-23-9234.34 g/mol

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Peroxide

Properties

Molecular formula
C12H26O4
Molar mass
234.34 g/mol
Exact mass
234.1831 Da
Boiling point
41 °C (at 1 Torr)
logP
3.61Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
2167-23-9
SMILES
CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChIKey
HQOVXPHOJANJBR-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3

Weigh it out

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

Names and synonyms

24 names · show all
  • Peroxide, 1,1′-(1-methylpropylidene)bis[2-(1,1-dimethylethyl)
  • Trigonox D-C 50
  • 2,2-Bis(tert-butylperoxybutane)
  • Luperox 220M50
  • 2,2-Di-tert-butylperoxybutane
  • Peroxide, sec-butylidenebis[tert-butyl
  • Peroxide, (1-methylpropylidene)bis[(1,1-dimethylethyl)
  • 1,1′-(1-Methylpropylidene)bis[2-(1,1-dimethylethyl) peroxide]
  • 3,4,6,7-Tetraoxanonane, 5-ethyl-2,2,5,8,8-pentamethyl-
  • VP 1200
  • 2,2-Di(tert-butylperoxy)butane
  • Chaloxyd P 1293AL
  • Chaloxyd P 1200AL
  • Lupersol 220
  • Trigonox DB 50
  • 2,2-Bis(tert-butyldioxy)butane
  • Trigonox DM 50
  • sec-Butylidenebis[tert-butyl peroxide]
  • Perhexa 22
  • Trigonox D
  • Trigonox D-E 50
  • Perhexa 22-50S
  • NSC 5626
  • DB 50

Work with 2,2-Bis(tert-butylperoxy)butane

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

Di-tert-butyl peroxide110-05-450 % similar 2-Ethyl-2-methyl-1,3-dioxolane126-39-648 % similar 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane78-63-742 % similar 1,1-Bis(tert-butylperoxy)cyclohexane3006-86-838 % similar 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-31068-27-536 % similar Ethyl tert-butyl ether637-92-333 % similar 3,3-Dimethylpentane562-49-232 % similar 2,2-Dimethylbutane75-83-232 % similar

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

Elsewhere

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