chempirical

Methyl 4,4-dimethoxyacetylacetate

C7H12O5CAS 60705-25-1176.17 g/mol

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AcetalEsterEtherKetone

Properties

Molecular formula
C7H12O5
Molar mass
176.17 g/mol
Exact mass
176.0685 Da
logP
-0.26Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
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
60705-25-1
SMILES
COC(C(=O)CC(=O)OC)OC
InChIKey
PJYQRBMGZRVNSQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O5/c1-10-6(9)4-5(8)7(11-2)12-3/h7H,4H2,1-3H3

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Names and synonyms

1 names
  • Methyl 4,4-dimethoxy-3-oxobutanoate

Work with Methyl 4,4-dimethoxyacetylacetate

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

Methyl β-oxocyclopropanepropanoate32249-35-764 % similar Methyl 4-methyl-3-oxopentanoate42558-54-364 % similar Dimethyl malonate108-59-858 % similar 1,5-Dimethyl 3-oxopentanedioate1830-54-252 % similar Methyl acetoacetate105-45-348 % similar Methyl 3,3-dimethoxypropionate7424-91-148 % similar Methyl 3-chloro-3-oxopropanoate37517-81-047 % similar Methyl dimethoxyacetate89-91-846 % similar

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

Same formula

2-((Acetyloxy)methoxy)ethyl acetate59278-00-1 1,5-Dimethyl 3-hydroxypentanedioate7250-55-7

Elsewhere

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