chempirical

2,2-Diethoxy-1-isocyanoethane

C7H13NO2CAS 15586-32-0143.19 g/mol

Open in Covalent MOL file
ON+C−O
AcetalEther

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
1.30Crippen estimate
Polar surface area
22.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
15586-32-0
SMILES
CCOC(C[N+]#[C-])OCC
InChIKey
RTKVTNIPVCCCNG-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-4-9-7(6-8-3)10-5-2/h7H,4-6H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • 1,1-Diethoxy-2-isocyanoethane
  • Ethane, 1,1-diethoxy-2-isocyano-
  • 1,1-Diethoxy-2-isocyano-ethane
  • Isocyanoacetaldehyddiethyl-ketale

Work with 2,2-Diethoxy-1-isocyanoethane

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

1,1,3,3-Tetraethoxypropane122-31-648 % similar 2-Chloro-1,1-diethoxyethane621-62-542 % similar 2,2-Diethoxyethanol621-63-642 % similar 3-Chloro-1,1-diethoxypropane35573-93-439 % similar 2,2-Diethoxy-N,N-dimethylethanamine3616-56-639 % similar 1,1,3-Triethoxypropane7789-92-639 % similar 2-Ethoxy-3,4-dihydro-2H-pyran103-75-339 % similar 1,1-Diethoxyhexane3658-93-338 % similar

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

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 Dimethylaminoethyl acrylate2439-35-2 (αS)-α-Aminocyclopentaneacetic acid2521-84-8

Elsewhere

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