chempirical

4-Chlorobutyraldehyde diethyl acetal

C8H17ClO2CAS 6139-83-9180.67 g/mol

Open in Covalent MOL file
OClO
AcetalAlkyl halideEther

Properties

Molecular formula
C8H17ClO2
Molar mass
180.67 g/mol
Exact mass
180.0917 Da
Boiling point
89–92 °C (at 14 Torr)
logP
2.40Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
6139-83-9
SMILES
CCOC(CCCCl)OCC
InChIKey
JGGRHRMHOUWCDX-UHFFFAOYSA-N
InChI
InChI=1S/C8H17ClO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Butane, 4-chloro-1,1-diethoxy-
  • Butyraldehyde, 4-chloro-, diethyl acetal
  • 4-Chloro-1,1-diethoxybutane
  • γ-Chlorobutyraldehyde diethyl acetal
  • 4-Chlorobutanal diethyl acetal
  • NSC 96467

Work with 4-Chlorobutyraldehyde diethyl acetal

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

3-Chloro-1,1-diethoxypropane35573-93-474 % similar 1,1-Diethoxyhexane3658-93-358 % similar 4,4-Diethoxy-1-butanamine6346-09-456 % similar 4-Chloro-1,1-dimethoxybutane29882-07-354 % similar 2-Chloro-1,1-diethoxyethane621-62-552 % similar 4,4-Diethoxy-N,N-dimethyl-1-butanamine1116-77-452 % similar 1,1,3-Triethoxypropane7789-92-648 % similar 1,1,3,3-Tetraethoxypropane122-31-646 % similar

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

Elsewhere

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