chempirical

Dimethyl 3-methylglutarate

C8H14O4CAS 19013-37-7174.20 g/mol

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Ester

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
logP
0.75Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

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
19013-37-7
SMILES
CC(CC(=O)OC)CC(=O)OC
InChIKey
YIJLMTNDXYVGPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4/c1-6(4-7(9)11-2)5-8(10)12-3/h6H,4-5H2,1-3H3

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Work with Dimethyl 3-methylglutarate

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 isovalerate556-24-167 % similar Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-465 % similar Methyl 3,3-dimethoxypropionate7424-91-160 % similar Methyl (-)-3-hydroxybutyrate3976-69-059 % similar Methyl (+)-3-hydroxybutanoate53562-86-059 % similar 1,5-Dimethyl 3-hydroxypentanedioate7250-55-758 % similar Dimethyl (R)-(+)-methylsuccinate22644-27-557 % similar (S)-(-)-Methylsuccinic acid dimethyl ester63163-08-657 % similar

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

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 Mono-tert-butyl succinate15026-17-2 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8

Elsewhere

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