chempirical

2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3

C16H30O4CAS 1068-27-5286.41 g/mol

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OOOO
AlkynePeroxide

Properties

Molecular formula
C16H30O4
Molar mass
286.41 g/mol
Exact mass
286.2144 Da
Density
0.881 g/mL (at 25 °C)
Boiling point
65–67 °C (at 2 Torr)
logP
4.04Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1068-27-5
SMILES
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
InChIKey
ODBCKCWTWALFKM-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3

Weigh it out

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

Names and synonyms

49 names · show all
  • Peroxide, 1,1′-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl)
  • Peroxide, (1,1,4,4-tetramethyl-2-butynylene)bis[tert-butyl
  • Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl)
  • Peroxide, (tetramethyl-2-butynylene)bis[tert-butyl
  • 1,1′-(1,1,4,4-Tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl) peroxide]
  • 3,4,9,10-Tetraoxadodec-6-yne, 2,2,5,5,8,8,11,11-octamethyl-
  • Luperox 130
  • Lupersol 130
  • Luperco 130XL
  • Cab-O-cure 2P
  • 2,5-Dimethyl-2,5-bis(tert-butyldioxy)-3-hexyne
  • Perhexyne 2.5B
  • 2,5-Dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne
  • PX 1
  • Kayahexa YD
  • Perhexyne 2.5B40
  • Perhexyne 25B40
  • Perhexyne 25B
  • 2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne-3
  • 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne
  • Trigonox 145
  • Luperox XL 130
  • Varox 130XL
  • PX 1 (peroxide)
  • 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne
  • 2,5-Dimethyl-2,5-di(tert-butylperoxy)-3-hexyne
  • 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexyne
  • 2,5-Dimethyl-2,5-di(t-butylperoxy)-3-hexyne
  • L 130
  • L 130 (Peroxide)
  • Trigonox 145E85
  • LX 130
  • Sanperox YPO
  • DYBP
  • Trigonox 145-45B
  • 2,5-Dimethyl-2,5-di-tert-butylperoxyhexyne
  • Aztec DYBP
  • 25B
  • Peroxide D 25
  • D 25 (Peroxide)
  • D 25
  • Interox DYBP
  • Trigonox 145B45PD
  • Kayahexa YD 50C
  • Luperox 130XL45
  • 2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne
  • DYBP 85WO
  • 2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexyne
  • Trigonox 101HP

Work with 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3

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 peroxide110-05-456 % similar 2,2-Bis(tert-butylperoxy)butane2167-23-936 % similar 1,1-Bis(tert-butylperoxy)cyclohexane3006-86-836 % similar 1,3-Bis(tert-butylperoxyisopropyl)benzene2212-81-930 % similar

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

Same formula

Dipropyl sebacate15419-91-7 Thapsic acid505-54-4 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-0 Diisopropyl sebacate7491-02-3

Elsewhere

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