
Propargyl-PEG3-methyl ester | CAS 2086689-09-8
| Catalog Number | R01-0162 |
| Category | Alkynes |
| Molecular Formula | C₁₁H₁₈O₅ |
| Molecular Weight | 230.26 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
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
Product Specification
Computed Properties
| 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 |
| InChIKey | SDSYWBQIDUXXIQ-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| 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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