tert-Butylperoxy 2-ethylhexyl carbonate

C₁₃H₂₆O₄CAS 34443-12-4246.35 g/mol

Open in Covalent MOL file

Carbonate Peroxide

Properties

Molecular formula: C₁₃H₂₆O₄
Molar mass: 246.35 g/mol
Exact mass: 246.1831 Da
logP: 4.09Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

Identifiers

CAS number

34443-12-4

SMILES

CCCCC(CC)COC(=O)OOC(C)(C)C

InChIKey

BRQMAAFGEXNUOL-UHFFFAOYSA-N

InChI

InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3

Weigh it out

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

Names and synonyms

18 names · show all

Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(2-ethylhexyl) ester
Peroxycarbonic acid, OO-tert-butyl O-(2-ethylhexyl) ester
OO-tert-Butyl O-(2-ethylhexyl) peroxycarbonate
Lupersol TBEC
Trigonox 117
O-(2-Ethylhexyl) OO-tert-butyl peroxycarbonate
Esperox C 496
OO-tert-butyl O-(2-ethylhexyl) monoperoxycarbonate
Perbutyl E
Luperox TBEC
TBEC
Peroxan BEC
tert-Butylperoxy 2-ethylhexyl monocarbonate
T 117
2-Ethylhexyl tert-Butyl peroxy carbonate
tert-Butyl(2-ethylhexyl)monoperoxycarbonate
tert-Butyl 2-ethylhexyl monopercarbonate
Tx 117

Work with tert-Butylperoxy 2-ethylhexyl carbonate

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

2-Ethylhexyl peroxydicarbonate16111-62-975 % similar tert-Butyl peroxy-2-ethylhexanoate3006-82-457 % similar 2-Ethylhexyl acetate103-09-354 % similar 2-Ethylhexyl chloroformate24468-13-154 % similar Bis(2-ethylhexyl) adipate103-23-152 % similar 2-Ethylhexyl fumarate141-02-652 % similar Bis(2-ethylhexyl) maleate142-16-552 % similar Dioctyl azelate103-24-251 % similar

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

Elsewhere

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