Diethyl γ-ketopimelate

C₁₁H₁₈O₅CAS 6317-49-3230.26 g/mol

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Properties

Molecular formula: C₁₁H₁₈O₅
Molar mass: 230.26 g/mol
Exact mass: 230.1154 Da
Density: 1.0855 g/mL (at 20 °C)
Melting point: 58 °C
Boiling point: 182 °C (at 20 Torr)
logP: 1.24Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Hazards

Warning

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

Aggregated from 2 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

6317-49-3

SMILES

CCOC(=O)CCC(=O)CCC(=O)OCC

InChIKey

ZGBUXZJMZBBISR-UHFFFAOYSA-N

InChI

InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3

Weigh it out

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Names and synonyms

10 names

Heptanedioic acid, 4-oxo-, 1,7-diethyl ester
Heptanedioic acid, 4-oxo-, diethyl ester
Diethyl 4-ketopimelate
γ-Oxopimelic acid diethyl ester
Diethyl 4-oxopimelate
Diethyl 4-oxoheptanedioate
Diethyl γ-oxopimelate
4-Oxopimelic acid diethyl ester
NSC 39476
1,7-Diethyl 4-oxoheptanedioate

Reactions

DIETHYL γ-OXOPIMELATE (Heptanedioic acid, 4-oxo-, diethyl ester)product

Work with Diethyl γ-ketopimelate

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

Diethyl glutarate818-38-270 % similar Diethyl 1,3-acetonedicarboxylate105-50-064 % similar Ethyl butyrate105-54-464 % similar Diethyl sebacate110-40-764 % similar Diethyl pimelate2050-20-664 % similar Diethyl suberate2050-23-964 % similar Diethyl azelate624-17-964 % similar Ethyl levulinate539-88-863 % similar

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

Same formula

1,4-Diethyl 2-(2-oxopropyl)butanedioate1187-74-2 Diethyl α-acetylglutarate1501-06-0

Elsewhere

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