chempirical

Diepoxybutane

C4H6O2CAS 1464-53-586.09 g/mol

Open in Covalent MOL file
OO
EpoxideEther

Properties

Molecular formula
C4H6O2
Molar mass
86.09 g/mol
Exact mass
86.0368 Da
Density
0.96 g/mL
Melting point
−19 °C
Boiling point
138 °C
logP
-0.22Crippen estimate
Polar surface area
25.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1464-53-5
SMILES
C1OC1C1CO1
InChIKey
ZFIVKAOQEXOYFY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

14 names · show all
  • 2,2′-Bioxirane
  • Butane, 1,2:3,4-diepoxy-
  • 1,1′-Bi[ethylene oxide]
  • Butadiene diepoxide
  • Butadiene dioxide
  • 1,2:3,4-Diepoxybutane
  • Bioxirane
  • Dioxybutadiene
  • Butane diepoxide
  • 1,3-Butadiene diepoxide
  • DEB
  • NSC 629
  • 1,3-Diepoxybutane
  • 2-(Oxiran-2-yl)oxirane

Work with Diepoxybutane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glycidaldehyde diethyl acetal13269-77-744 % similar Dimethyl isosorbide5306-85-439 % similar Vinylcyclohexene dioxide106-87-638 % similar 1,2:5,6-Diepoxyhexane1888-89-733 % similar Levoglucosan498-07-732 % similar Glycerol triglycidyl ether13236-02-731 % similar (+)-Propylene oxide15448-47-231 % similar (2S)-2-Methyloxirane16088-62-331 % similar

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

Same formula

Crotonic acid107-93-7 Vinyl acetate108-05-4 1,4-Butynediol110-65-6 Cyclopropanecarboxylic acid1759-53-1 Allyl formate1838-59-1 3-Oxotetrahydrofuran22929-52-8 3,6-Dioxabicyclo[3.1.0]hexane285-69-8 Rel-(2R,2′R)-2,2′-bioxirane298-18-0

Elsewhere

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