Triethyl 1,3,5-benzenetricarboxylate

C₁₅H₁₈O₆CAS 4105-92-4294.30 g/mol

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Properties

Molecular formula: C₁₅H₁₈O₆
Molar mass: 294.30 g/mol
Exact mass: 294.1103 Da
logP: 2.22Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Identifiers

CAS number

4105-92-4

SMILES

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

InChIKey

KXGOWZRHSOJOLF-UHFFFAOYSA-N

InChI

InChI=1S/C15H18O6/c1-4-19-13(16)10-7-11(14(17)20-5-2)9-12(8-10)15(18)21-6-3/h7-9H,4-6H2,1-3H3

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Names and synonyms

1 names

Triethyl benzene-1,3,5-tricarboxylate

Work with Triethyl 1,3,5-benzenetricarboxylate

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

1,3-Diethyl 1,3-benzenedicarboxylate636-53-377 % similar Diethyl terephthalate636-09-975 % similar Ethyl 3,5-dichlorobenzoate91085-56-271 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-667 % similar Ethyl gallate831-61-867 % similar Ethyl benzoate93-89-067 % similar 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-166 % similar Ethyl 3,4,5-trimethoxybenzoate6178-44-565 % similar

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

Elsewhere

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