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

C₁₅H₂₄O₇SCAS 77544-60-6348.41 g/mol

Open in Covalent MOL file

Alcohol Ether Sulfonate ester

Properties

Molecular formula: C₁₅H₂₄O₇S
Molar mass: 348.41 g/mol
Exact mass: 348.1243 Da
logP: 0.74Crippen estimate
Polar surface area: 91.3 Å²
H-bond donors / acceptors: 1 / 7
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

77544-60-6

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCO

InChIKey

FGDJUEZBMFELRW-UHFFFAOYSA-N

InChI

InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3

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Names and synonyms

1 names

2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]-1-(P-toluenesulfonyl)-ethanol

Work with 2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

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

2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate77544-68-4100 % similar Triethylene glycol ditosylate19249-03-782 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-482 % similar Ethylene glycol ditosylate6315-52-273 % similar Benzyl-PEG5-ots129086-10-864 % similar Tosylate of triethylene glycol monobenzyl ether84131-04-464 % similar 1,3-Propanediol ditosylate5469-66-964 % similar 2-Methoxyethyl p-toluenesulfonate17178-10-863 % similar

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

Elsewhere

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