Propargyl-PEG14-t-butyl ester

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Propargyl-PEG14-t-butyl ester

Propargyl-PEG14-t-butyl ester | 2055104-86-2

Catelog Number R01-0167
Category Alkynes
Molecular Formula C36H68O16
Molecular Weight 756.9
Catalog Number Size Price Quantity
R01-0167 -- $--

Product Introduction

Propargyl-PEG14-t-butyl ester consists of a propargyl group and a t-butyl protected carboxyl group. The propargyl group can be used in copper catalyzed Click Chemistry to yield a stable triazole linkage with azides. The t-butyl group can be hydrolyzed in acidic conditions. The hydrophilic PEG units help the molecule to have better solubility in aqueous environment.

Chemical Information

Synonyms Propargyl-PEG14-Boc; PROPARGYL-PEG14-T-BUTYLESTER; tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Purity 98%
IUPAC Name tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C
InChI InChI=1S/C36H68O16/c1-5-7-38-9-11-40-13-15-42-17-19-44-21-23-46-25-27-48-29-31-50-33-34-51-32-30-49-28-26-47-24-22-45-20-18-43-16-14-41-12-10-39-8-6-35(37)52-36(2,3)4/h1H,6-34H2,2-4H3
InChI Key ZARGKRMZKKFQJH-UHFFFAOYSA-N
Solubility DMSO, DMF, DCM

Product Specification

Storage -20 °C

Computed Properties

XLogP3 -0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 45
Exact Mass 756.45073608 g/mol
Monoisotopic Mass 756.45073608 g/mol
Topological Polar Surface Area 156Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 773
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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