Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

C₁₂H₁₈O₄CAS 1459-96-7226.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈O₄
Molar mass: 226.27 g/mol
Exact mass: 226.1205 Da
logP: 1.67Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

1459-96-7

SMILES

COC(=O)C12CCC(CC1)(CC2)C(=O)OC

InChIKey

HDOVTVDGSLEUSK-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O4/c1-15-9(13)11-3-6-12(7-4-11,8-5-11)10(14)16-2/h3-8H2,1-2H3

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Names and synonyms

1 names

1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

Work with Dimethyl bicyclo[2.2.2]octane-1,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-775 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-972 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-264 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-358 % similar Adamantane-1-carboxylic acid methyl ester711-01-358 % similar 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate83249-10-954 % similar Methyl pivalate598-98-152 % similar Dimethyl diethylmalonate27132-23-652 % similar

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

Same formula

1,3-Butyleneglycol dimethacrylate1189-08-8 1,6-Hexanediol diacrylate13048-33-4 Butanediol dimethacrylate2082-81-7 Dibutyl squarate2892-62-8 1,6-Di-2-propen-1-yl hexanedioate2998-04-1

Elsewhere

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