Ethyl 2-(4-oxocyclohexyl)acetate

C₁₀H₁₆O₃CAS 58012-34-3184.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O₃
Molar mass: 184.23 g/mol
Exact mass: 184.1099 Da
logP: 1.70Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

58012-34-3

SMILES

CCOC(=O)CC1CCC(=O)CC1

InChIKey

XHNJFNLTFMAPQB-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8H,2-7H2,1H3

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Names and synonyms

1 names

Ethyl 4-oxocyclohexaneacetate

Work with Ethyl 2-(4-oxocyclohexyl)acetate

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

Ethyl tetrahydropyran-4-ylacetate103260-44-266 % similar Ethyl 2-(piperidin-4-yl)acetate59184-90-666 % similar Diethyl γ-ketopimelate6317-49-360 % similar (trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride76308-26-457 % similar Ethyl isovalerate108-64-553 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-453 % similar Diethyl succinate123-25-152 % similar Diethyl 1,3-acetonedicarboxylate105-50-052 % similar

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

Same formula

Ethyl 3-cyclopentyl-3-oxopropanoate24922-00-7

Elsewhere

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