Ethyl 2-(2-oxocyclopentyl)acetate

C₉H₁₄O₃CAS 20826-94-2170.21 g/mol

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Properties

Molecular formula: C₉H₁₄O₃
Molar mass: 170.21 g/mol
Exact mass: 170.0943 Da
logP: 1.31Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

20826-94-2

SMILES

CCOC(=O)CC1CCCC1=O

InChIKey

PJMKFKUFBDXYEC-UHFFFAOYSA-N

InChI

InChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3

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Names and synonyms

1 names

Ethyl 2-oxocyclopentylacetate

Work with Ethyl 2-(2-oxocyclopentyl)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 3-cyclopentyl-3-oxopropanoate24922-00-760 % similar Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-954 % similar Diethyl glutarate818-38-252 % similar Ethyl 2-(4-oxocyclohexyl)acetate58012-34-351 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-951 % similar Ethyl isovalerate108-64-550 % similar Diethyl adipate141-28-650 % similar Ethyl tetrahydropyran-4-ylacetate103260-44-249 % similar

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

Same formula

2-Furfural diethyl acetal13529-27-6 Ethyl 2-oxocyclohexanecarboxylate1655-07-8 Ethyl 4-oxocyclohexanecarboxylate17159-79-4 Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-2 Tetrahydrofurfuryl methacrylate2455-24-5 Ethyl 3-oxocyclohexanecarboxylate33668-25-6 (1R,4R)-Methyl 4-formylcyclohexanecarboxylate54274-80-5 (R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde78008-36-3

Elsewhere

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