Tosylate of triethylene glycol monobenzyl ether

C₂₀H₂₆O₆SCAS 84131-04-4394.48 g/mol

Open in Covalent MOL file

Ether Sulfonate ester

Properties

Molecular formula: C₂₀H₂₆O₆S
Molar mass: 394.48 g/mol
Exact mass: 394.1450 Da
logP: 2.95Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 13

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

84131-04-4

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCC2=CC=CC=C2

InChIKey

SULYUXLJHONROP-UHFFFAOYSA-N

InChI

InChI=1S/C20H26O6S/c1-18-7-9-20(10-8-18)27(21,22)26-16-15-24-12-11-23-13-14-25-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3

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Names and synonyms

1 names

2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

Work with Tosylate of triethylene glycol monobenzyl ether

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

Benzyl-PEG5-ots129086-10-8100 % similar Triethylene glycol ditosylate19249-03-775 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-475 % similar Ethylene glycol ditosylate6315-52-267 % similar 2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate77544-60-664 % similar 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate77544-68-464 % similar 1,3-Propanediol ditosylate5469-66-959 % similar 2-Methoxyethyl p-toluenesulfonate17178-10-859 % similar

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

Elsewhere

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