1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate

C₉H₁₄O₄CAS 3999-55-1186.21 g/mol

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Properties

Molecular formula: C₉H₁₄O₄
Molar mass: 186.21 g/mol
Exact mass: 186.0892 Da
logP: 0.75Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

3999-55-1

SMILES

CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC

InChIKey

SXLDHZFJMXLFJU-RNFRBKRXSA-N

InChI

InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1

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Names and synonyms

1 names

Diethyl trans-1,2-cyclopropanedicarboxylate

Work with 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate

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

1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-768 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-365 % similar Ethyl cyclopropanecarboxylate4606-07-960 % similar Diethyl methylmalonate609-08-560 % similar Ethyl isobutyrate97-62-160 % similar Diethyl isobutylmalonate10203-58-459 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-158 % similar (-)-Diethyl tartrate13811-71-758 % similar

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

Same formula

1,3-Diethyl 2-ethylidenepropanedioate1462-12-0 trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-0 Diethyl 1,1-cyclopropanedicarboxylate1559-02-0 1,1-Cyclopentanediacetic acid16713-66-9 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-1 Ethyl 2-(ethoxymethylene)acetoacetate3788-94-1

Elsewhere

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