Benzyl ethyl malonate

C₁₂H₁₄O₄CAS 42998-51-6222.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄O₄
Molar mass: 222.24 g/mol
Exact mass: 222.0892 Da
logP: 1.68Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

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

42998-51-6

SMILES

CCOC(=O)CC(=O)OCC1=CC=CC=C1

InChIKey

CGNOCUSLPSCMLL-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O4/c1-2-15-11(13)8-12(14)16-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

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Work with Benzyl ethyl 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

Dibenzyl malonate15014-25-279 % similar Benzyl methyl malonate52267-39-771 % similar Ethyl phenylacetate101-97-367 % similar Benzyl propionate122-63-467 % similar 3-Oxo-4-phenyl-butyric acid ethyl ester718-08-167 % similar Benzyl acetoacetate5396-89-466 % similar Benzyl tert-butyl malonate72594-86-665 % similar Ethyl 3-phenylpropanoate2021-28-565 % similar

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

Same formula

Diglycidyl resorcinol ether101-90-6 Monobutyl phthalate131-70-4 Isobutavan20665-85-4 5-tert-Butylisophthalic acid2359-09-3 1,4-Bis(2,3-epoxypropoxy)benzene2425-01-6 2-Oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl Methacrylate254900-07-7 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester27834-99-7 Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-6

Elsewhere

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