Ethyl 3-cyclopentyl-3-oxopropanoate

C₁₀H₁₆O₃CAS 24922-00-7184.23 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: 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

24922-00-7

SMILES

CCOC(=O)CC(=O)C1CCCC1

InChIKey

MUDKQMLLCRJCEY-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Cyclopentyl-3-oxo-propionic acid ethyl ester

Work with Ethyl 3-cyclopentyl-3-oxopropanoate

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-cyclopropyl-3-oxopropanoate24922-02-986 % similar Ethyl isobutyrylacetate7152-15-063 % similar 4,4-Difluoro-3-oxobutanoic acid ethyl ester352-24-961 % similar Ethyl 2-(2-oxocyclopentyl)acetate20826-94-260 % similar tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate479630-08-560 % similar Diethyl malonate105-53-357 % similar Diethyl 1,3-acetonedicarboxylate105-50-052 % similar Methyl β-oxocyclopropanepropanoate32249-35-752 % similar

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

Same formula

Ethyl 2-(4-oxocyclohexyl)acetate58012-34-3

Elsewhere

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