Diethyl cyclopropane-1,1-dicarboxylate

C₉H₁₄O₄CAS 1559-02-0186.21 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₉H₁₄O₄
Molar mass: 186.21 g/mol
Exact mass: 186.0892 Da
Boiling point: 216 °C
logP: 0.89Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Danger

H228 Flammable solid25% of notifiers
H300 Fatal if swallowed25% of notifiers
H310 Fatal in contact with skin25% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H330 Fatal if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

1559-02-0

SMILES

CCOC(=O)C1(C(=O)OCC)CC1

InChIKey

KYYUCZOHNYSLFV-UHFFFAOYSA-N

InChI

InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

Diethyl 1,1-cyclopropanedicarboxylate
1,1-Cyclopropanedicarboxylic acid, 1,1-diethyl ester
1,1-Cyclopropanedicarboxylic acid, diethyl ester
1,1-Dicarbethoxycyclopropane
1,1-Bis(ethoxycarbonyl)cyclopropane
NSC 21376
1,1-Diethyl cyclopropane-1,1-dicarboxylate

Work with Diethyl cyclopropane-1,1-dicarboxylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl 1,1-cyclobutanedicarboxylate3779-29-183 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-079 % similar Ethyl 1-acetylcyclopropanecarboxylate32933-03-273 % similar Diethyl dibutylmalonate596-75-873 % similar Diethylmalonic acid diethyl ester77-25-871 % similar Diethyl bis(2-cyanoethyl)malonate1444-05-966 % similar Diethyl bis(hydroxymethyl)malonate20605-01-065 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl ethylidenemalonate1462-12-0 trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-0 1,1-Cyclopentanediacetic acid16713-66-9 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-1 Ethyl 2-(ethoxymethylene)acetoacetate3788-94-1 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-1

Elsewhere

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