4,7,10,13,16,19-Hexaoxadocosa-1,21-diyne
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Basic information
- CAS
185378-83-0- Standard SMILES
C#CCOCCOCCOCCOCCOCCOCC#C- InChIKey
UDOWAMKIEUIBMU-UHFFFAOYSA-N- Molecular formula
- C16H26O6
- Average molar mass
- 314.37 g/mol
Names & identifiers
- Preferred name
- 4,7,10,13,16,19-Hexaoxadocosa-1,21-diyne
- IUPAC
- 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
- English name
- Bis-propargyl-PEG6
- Molecular formula
- C16H26O6
- Molecular weight
- 314.37
Names & synonyms
185378-83-04,7,10,13,16,19-Hexaoxadocosa-1,21-diyneMFCD267937553-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yneAlkyne-PEG6-AlkynePropargyl-PEG6-Propargylorb1909487SCHEMBL27190031AKOS040741375SB67190BP-21965BS-31798
Show more names
Bis-propargyl-PEG6Bis-propargyl-PEG5/4,7,10,13,16,19-Hexaoxadocosa-1,21-diyne
SY318466DB-205345HY-133193CS-0113217C70547T14658F863852
Database identifiers
- CAS
185378-83-0
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 381.7 · 381.7±37.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- solubility
- Soluble in DMSO, DCM, DMF
- form
- Oil
- color
- Colorless to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302
- Precautionary statements
- 210 · P210-P264-P270-P280-P330-P370+P378-P403-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H302
- Precautionary statements
- P210-P264-P270-P280-P330-P370+P378-P403-P501
Chemistry & industry
Applications
DescriptionBis-propargyl-PEG6 has two propargyl groups which can participate in Click Chemistry reactions to yield a stable triazole linkage with azide compounds; copper is needed as a catalyst. The 6 units of PEG increase the hydrophilicity of the compound.
UsesBis-propargyl-PEG5 is a PEG-based PROTAC linker used in the synthesis of PROTACs. Bis-propargyl-PEG5 is used for the synthesis of carbohydrate receptors (SCRs) with anti-Zika activity[1]. Bis-propargyl-PEG5 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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