chempirical

1,3-Dimethyl 2-methoxypropanedioate

C6H10O5CAS 5018-30-4162.14 g/mol

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EsterEther

Properties

Molecular formula
C6H10O5
Molar mass
162.14 g/mol
Exact mass
162.0528 Da
Boiling point
103–104 °C (at 11 Torr)
logP
-0.65Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
5018-30-4
SMILES
COC(=O)C(OC)C(=O)OC
InChIKey
ORXJMBXYSGGCHG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3

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

Names and synonyms

6 names
  • Propanedioic acid, 2-methoxy-, 1,3-dimethyl ester
  • Malonic acid, methoxy-, dimethyl ester
  • Propanedioic acid, methoxy-, dimethyl ester
  • Dimethyl methoxymalonate
  • Dimethyl 2-methoxymalonate
  • 2-Methoxy-malonic acid dimethyl ester

Work with 1,3-Dimethyl 2-methoxypropanedioate

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 dimethoxyacetate89-91-864 % similar Methyl 2-hydroxy-2-methoxyacetate19757-97-256 % similar Methyl isobutyrate547-63-752 % similar Dimethyl methylmalonate609-02-952 % similar Methyl dichloroacetate116-54-150 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-750 % similar Methyl cyclopropanecarboxylate2868-37-350 % similar Dimethyl chloromalonate28868-76-050 % similar

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

Same formula

Diethyl pyrocarbonate1609-47-8 Dimethyl malate38115-87-6 2-C-Methyl-D-ribono-1,4-lactone492-30-8 Levoglucosan498-07-7 3-Hydroxy-3-methylglutaric acid503-49-1 Conduritol B epoxide6090-95-5 1,3,5-Benzenetriol, hydrate (1:2)6099-90-7 (S)-(-)-Dimethyl malate617-55-0

Elsewhere

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