Dimethyl 2-oxoglutarate

C₇H₁₀O₅CAS 13192-04-6174.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀O₅
Molar mass: 174.15 g/mol
Exact mass: 174.0528 Da
Boiling point: 90–95 °C (at 0.4 Torr)
logP: -0.32Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13192-04-6

SMILES

COC(=O)CCC(=O)C(=O)OC

InChIKey

TXIXSLPEABAEHP-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3

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Names and synonyms

10 names

Pentanedioic acid, 2-oxo-, 1,5-dimethyl ester
Glutaric acid, 2-oxo-, dimethyl ester
Pentanedioic acid, 2-oxo-, dimethyl ester
Dimethyl α-ketoglutarate
Dimethyl α-oxoglutarate
2-Oxoglutaric acid dimethyl ester
Dimethyl 2-oxopentanedioate
α-Ketoglutaric acid dimethyl ester
1,5-Dimethyl 2-oxopentanedioate
Dimethyl alpha-ketoglutarate

Work with Dimethyl 2-oxoglutarate

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

Dimethyl succinate106-65-065 % similar Rhodasolv RPDE NA95481-62-258 % similar Dimethyl glutarate1119-40-056 % similar Dimethyladipate627-93-054 % similar Dimethyl sebacate106-79-652 % similar Dimethyl octadecanedioate1472-93-152 % similar 1,12-Dimethyl dodecanedioate1731-79-952 % similar Dimethyl pimelate1732-08-752 % similar

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

Same formula

Shikimic acid138-59-0 1,5-Dimethyl 3-oxopentanedioate1830-54-2 1,3-Dimethyl 2-(methoxymethylene)propanedioate22398-14-7 Maleic acid-methyl vinyl ether copolymer25153-40-6 Diethyl oxomalonate609-09-6 1,3-Diacetoxyacetone6946-10-7

Elsewhere

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