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M-PEG16-alcohol

CAT: 0127-BIPG1569-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1569-01Size:100 mg
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CAS Number
133604-58-7
MDL Number
MFCD27977525
Purity
95%
Smiles
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

Chemical Information

2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-Hexadecaoxanonatetracontan-49-ol
CAS Number133604-58-7
PubChem CID14550551
IUPAC Name2-[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]ethanol
Molecular FormulaC33H68O17
Molecular Weight736.9
XLogP-2.8
Topological Polar Surface Area168
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count47
Heavy Atom Count50
Formal Charge0
Complexity582
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C33H68O17/c1-35-4-5-37-8-9-39-12-13-41-16-17-43-20-21-45-24-25-47-28-29-49-32-33-50-31-30-48-27-26-46-23-22-44-19-18-42-15-14-40-11-10-38-7-6-36-3-2-34/h34H,2-33H2,1H3
InChIKey
GMNLVYXCNRUMTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-Hexadecaoxanonatetracontan-49-ol
CAS: 133604-58-7
CID: 14550551
Formula: C33H68O17
MW: 736.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight736.9
XLogP3-2.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count47
Exact Mass736.44565070
Monoisotopic Mass736.44565070
Topological Polar Surface Area168 Ų
Heavy Atom Count50
Formal Charge0
Complexity582
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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