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Methyl acetate-PEG1-methyl acetate

CAT: 0013-GTR19222139-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222139-01Size:100 mg
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Description
This compound, Methyl acetate-PEG1-methyl acetate, serves as a flexible polyethylene glycol (PEG) linker in constructing PROTAC molecules. Its application is crucial in chemical biology and drug discovery research, facilitating the development of bifunctional degraders for both in vitro and in vivo experimental studies.
CAS Number
54665-51-9
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC) COCCOCC (=O) OC
Molecular Formula
C8H14O6
Molecular Weight
206.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sbb056554
CAS Number54665-51-9
PubChem CID4534693
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethoxy)ethoxy]acetate
Molecular FormulaC8H14O6
Molecular Weight206.19
XLogP-0.2
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity159
SMILES
COC(=O)COCCOCC(=O)OC
InChI
InChI=1S/C8H14O6/c1-11-7(9)5-13-3-4-14-6-8(10)12-2/h3-6H2,1-2H3
InChIKey
VGYYKZVYXBJBOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sbb056554
CAS: 54665-51-9
CID: 4534693
Formula: C8H14O6
MW: 206.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass206.07903816
Monoisotopic Mass206.07903816
Topological Polar Surface Area71.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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