Dimethyl (R)-(+)-methylsuccinate

C7H12O4CAS 22644-27-5160.17 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
logP
0.36Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

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
22644-27-5
SMILES
C[C@H](CC(=O)OC)C(=O)OC
InChIKey
NFOQJNGQQXICBY-RXMQYKEDSA-N
InChI
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1

Weigh it out

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

Work with Dimethyl (R)-(+)-methylsuccinate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(-)-Methylsuccinic acid dimethyl ester63163-08-6Enantiomer

Similar compounds

Methylsuccinic anhydride4100-80-561 % similar (±)-Methyl 2-methylbutanoate868-57-559 % similar Dimethyl malate38115-87-658 % similar (S)-(-)-Dimethyl malate617-55-058 % similar D-(+)-Malic acid dimethyl ester70681-41-358 % similar Dimethyl 3-methylglutarate19013-37-757 % similar Methyl isovalerate556-24-157 % similar Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (+-)-3-Methyladipic acid3058-01-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook