Propargyl-PEG3-methyl ester

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Propargyl-PEG3-methyl ester

Propargyl-PEG3-methyl ester | 2086689-09-8

Catalog Number R01-0162
Category Alkynes
Molecular Formula C₁₁H₁₈O₅
Molecular Weight 230.26
Catalog Number Size Price Quantity
R01-0162 -- $--

Product Introduction

Propargyl-PEG3-methyl ester is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG3-methyl ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms Propargyl-PEG3-methylester; methyl 3-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethoxy}propanoate; Propanoic acid, 3-[2-[2-(2-propyn-1-yloxy)ethoxy]ethoxy]-, methyl ester
Purity 98%
IUPAC Name methyl 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate
Canonical SMILES COC(=O)CCOCCOCCOCC#C
InChI InChI=1S/C11H18O5/c1-3-5-14-7-9-16-10-8-15-6-4-11(12)13-2/h1H,4-10H2,2H3
InChI Key SDSYWBQIDUXXIQ-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 230.11542367 g/mol
Monoisotopic Mass 230.11542367 g/mol
Topological Polar Surface Area 54Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 218
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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