≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Propargyl-PEG2-t-butyl ester is a PEG derivative containing a propargyl group and a t-butyl protected carboxyl group. The propargyl group can be reacted with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage. The t-butyl protected carboxyl group can be deprotected under acidic conditions. The hydrophilic PEG spacer increases solubility in aqueous media.
| Canonical Smiles | CC(C)(C)OC(=O)CCOCCOCC#C |
|---|---|
| IUPAC Name | tert-butyl 3-(2-prop-2-ynoxyethoxy)propanoate |
| InChIKey | DPARWKDJMUCBKM-UHFFFAOYSA-N |
| INCHI | 1S/C12H20O4/c1-5-7-14-9-10-15-8-6-11(13)16-12(2,3)4/h1H,6-10H2,2-4H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)CCOCCOCC#C |
| PubChem CID | 88878523 |
| Molecular Weight | 228.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid esters |
| Alternative Parents | Monocarboxylic acids and derivatives Dialkyl ethers Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboxylic acid ester - Acetylide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). |
| External Descriptors | Not available |
| Molecular Weight | 228.280 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 228.136 Da |
| Monoisotopic Mass | 228.136 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
