chempirical

1,2:7,8-Diepoxyoctane

C8H14O2CAS 2426-07-5142.20 g/mol

Open in Covalent MOL file
OO
EpoxideEther

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Boiling point
120 °C (at 28 Torr)
logP
1.34Crippen estimate
Polar surface area
25.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
2426-07-5
SMILES
C(CCC1CO1)CC1CO1
InChIKey
LFKLPJRVSHJZPL-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

9 names
  • Oxirane, 2,2′-(1,4-butanediyl)bis-
  • Octane, 1,2:7,8-diepoxy-
  • 2,2′-(1,4-Butanediyl)bis[oxirane]
  • 1,7-Octadiene diepoxide
  • 2,2′-Tetramethylenebis[oxirane]
  • 1,7-Octadiene bisoxide
  • NSC 269058
  • 1,4-Di(oxiran-2-yl)butane
  • 2-[4-(Oxiran-2-yl)butyl]oxirane

Work with 1,2:7,8-Diepoxyoctane

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

1,2:5,6-Diepoxyhexane1888-89-771 % similar 1,2-Epoxydecane2404-44-668 % similar 1,2-Epoxydodecane2855-19-868 % similar 2-Hexyloxirane2984-50-168 % similar 1,2-Epoxytetradecane3234-28-468 % similar 1,2-Epoxyhexadecane7320-37-868 % similar 1,2-Epoxyoctadecane7390-81-068 % similar 2-Butyloxirane1436-34-667 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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