chempirical

4-Chloro-1,1-dimethoxybutane

C6H13ClO2CAS 29882-07-3152.62 g/mol

Open in Covalent MOL file
OClO
AcetalAlkyl halideEther

Properties

Molecular formula
C6H13ClO2
Molar mass
152.62 g/mol
Exact mass
152.0604 Da
Density
1.1446 g/mL (at 20 °C)
Boiling point
88–91 °C (at 8 Torr)
logP
1.62Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
29882-07-3
SMILES
COC(CCCCl)OC
InChIKey
LTLKJYMNUSSFAH-UHFFFAOYSA-N
InChI
InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Butane, 4-chloro-1,1-dimethoxy-
  • Butyraldehyde, 4-chloro-, dimethyl acetal
  • 4-Chlorobutyraldehyde dimethyl acetal
  • 4,4-Dimethoxybutyl chloride
  • 1-Chloro-4,4-dimethoxybutane
  • 4-Chlorobutanal dimethyl acetal

Work with 4-Chloro-1,1-dimethoxybutane

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-Chlorobutyraldehyde diethyl acetal6139-83-954 % similar 4,4-Dimethoxy-1-butanamine19060-15-252 % similar 1,1-Dimethoxyoctane10022-28-350 % similar 1,1-Dimethoxydecane7779-41-150 % similar 4,4-Dimethoxy-N,N-dimethyl-1-butanamine19718-92-448 % similar Chloroacetaldehyde dimethyl acetal97-97-248 % similar 1,1,3-Trimethoxypropane14315-97-044 % similar 3-Bromo-1,1-dimethoxypropane36255-44-444 % similar

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

Same formula

2-Chloro-1,1-diethoxyethane621-62-5

Elsewhere

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