chempirical

1,4-Dioxane-D8

C4D8O2CAS 17647-74-496.15 g/mol

Open in Covalent MOL file
DDODDDDODD
Ether

Properties

Molecular formula
C4D8O2
Molar mass
96.15 g/mol
Exact mass
96.1026 Da
logP
0.03Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
17647-74-4
SMILES
[2H]C1([2H])OC([2H])([2H])C([2H])([2H])OC1([2H])[2H]
InChIKey
RYHBNJHYFVUHQT-SVYQBANQSA-N
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2

Weigh it out

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

Names and synonyms

7 names
  • 1,4-Dioxane-2,2,3,3,5,5,6,6-d8
  • p-Dioxane-d8
  • p-Dioxane-2,2,3,3,5,5,6,6-d8
  • Octadeutero-p-dioxane
  • Octadeuterodioxane
  • Perdeuterio p-dioxane
  • 2,2,3,3,5,5,6,6-Octadeuterio-1,4-dioxane

Work with 1,4-Dioxane-D8

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

Deuterated thf1693-74-956 % similar

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

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 2-Methylene-1,3-propanediol3513-81-3 3-Hydroxytetrahydrofuran453-20-3

Elsewhere

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