chempirical

3,3-Dimethoxypropionitrile

C5H9NO2CAS 57597-62-3115.13 g/mol

Open in Covalent MOL file
ONO
AcetalEtherNitrile

Properties

Molecular formula
C5H9NO2
Molar mass
115.13 g/mol
Exact mass
115.0633 Da
Boiling point
113–116 °C (at 25 Torr)
logP
0.52Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
57597-62-3
SMILES
COC(CC#N)OC
InChIKey
JYHSJQNYYLGMEI-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Propanenitrile, 3,3-dimethoxy-
  • Acetaldehyde, cyano-, dimethyl acetal
  • 3,3-Dimethoxypropanenitrile
  • 1-Cyano-2,2-dimethoxyethane
  • β,β-Dimethoxypropionitrile
  • 2-Cyano-1,1-dimethoxyethane
  • Cyanoacetaldehyde dimethyl acetal

Work with 3,3-Dimethoxypropionitrile

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

4,4-Dimethoxybutanenitrile14618-78-158 % similar 3,3-Diethoxypropionitrile2032-34-052 % similar Isovaleronitrile625-28-543 % similar 1,1,3,3-Tetramethoxypropane102-52-343 % similar Methyl cyanoacetate105-34-039 % similar 2,5-Dimethoxytetrahydrofuran696-59-339 % similar Aminoacetaldehyde dimethyl acetal22483-09-638 % similar 1,1,2-Trimethoxyethane24332-20-538 % similar

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

Same formula

N-Methyldiacetamide1113-68-4 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-6 Methyl 3-amino-2-butenoate14205-39-1 Proline147-85-3 N-(Hydroxymethyl)-2-pyrrolidone15438-71-8 (5S)-5-(Hydroxymethyl)-2-pyrrolidinone17342-08-4 N-Methylacetoacetamide20306-75-6 1-Aminocyclobutanecarboxylic acid22264-50-2

Elsewhere

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