Dimethyl malonate
Properties
- Molecular formula
- C5H8O4
- Molar mass
- 132.12 g/mol
- Exact mass
- 132.0423 Da
- Density
- 1.1585 g/mL (at 15 °C)
- Melting point
- −61.9 °C
- Boiling point
- 181.4 °C
- logP
- -0.28Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H319 Causes serious eye irritation13.6% of notifiers
Aggregated from 1,773 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
108-59-8SMILES
COC(=O)CC(=O)OCInChIKey
BEPAFCGSDWSTEL-UHFFFAOYSA-NInChI
InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Propanedioic acid, 1,3-dimethyl ester
- Malonic acid, dimethyl ester
- Propanedioic acid, dimethyl ester
- Methyl malonate
- Dimethyl propanedioate
- Dimethyl 1,3-propanedioate
- NSC 620046
Work with Dimethyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,5-Dimethyl 3-oxopentanedioate1830-54-274 % similar
Methyl acetoacetate105-45-367 % similar
Dimethyl succinate106-65-067 % similar
1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-865 % similar
Methyl 3-chloro-3-oxopropanoate37517-81-064 % similar
Dimethyl glutarate1119-40-063 % similar
Methyl 3-oxopentanoate30414-53-061 % similar
Dimethyl 3-oxohexanedioate5457-44-361 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds