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MPEG-Alkyne

CAT: 0127-OR1024579-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1024579-01Size:250 mg
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CAS Number
146185-77-5
Synonyms
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2- (2-methoxyethoxy) ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Purity
97% average Mw2000
Smiles
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

Chemical Information

Propargyl-PEG17-methane
CAS Number146185-77-5
PubChem CID77078252
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Molecular FormulaC36H70O17
Molecular Weight774.9
XLogP-2.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count49
Heavy Atom Count53
Formal Charge0
Complexity700
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C36H70O17/c1-3-4-38-7-8-40-11-12-42-15-16-44-19-20-46-23-24-48-27-28-50-31-32-52-35-36-53-34-33-51-30-29-49-26-25-47-22-21-45-18-17-43-14-13-41-10-9-39-6-5-37-2/h1H,4-36H2,2H3
InChIKey
KXGWRMYKHLIJGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG17-methane
CAS: 146185-77-5
CID: 77078252
Formula: C36H70O17
MW: 774.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight774.9
XLogP3-2.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count49
Exact Mass774.46130076
Monoisotopic Mass774.46130076
Topological Polar Surface Area157 Ų
Heavy Atom Count53
Formal Charge0
Complexity700
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