chempirical

Diethyl (3-chloropropyl)malonate

C10H17ClO4CAS 18719-43-2236.69 g/mol

Open in Covalent MOL file
OOClOO
Alkyl halideEster

Properties

Molecular formula
C10H17ClO4
Molar mass
236.69 g/mol
Exact mass
236.0815 Da
logP
1.75Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18719-43-2
SMILES
CCOC(=O)C(CCCCl)C(=O)OCC
InChIKey
WUOPYKKJFZHTRA-UHFFFAOYSA-N
InChI
InChI=1S/C10H17ClO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-7H2,1-2H3

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Names and synonyms

1 names
  • Malonic acid, 3-chloropropyl-, diethyl ester

Work with Diethyl (3-chloropropyl)malonate

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

1,3-Diethyl 2-butylpropanedioate133-08-468 % similar Propylmalonic acid diethyl ester2163-48-661 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-959 % similar Diethyl isoamylmalonate5398-08-358 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-857 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-155 % similar 2-Acetylhexanoic acid ethyl ester1540-29-054 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-753 % similar

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

Elsewhere

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