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Bis-PEG2-Boc

CAT: 0013-GTR19263011-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263011-02Size:10 mg
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Description
Bis-PEG2-Boc is a PROTAC linker classified under the alkyl/ether category, useful for synthesizing PROTAC molecules.
CAS Number
1611468-28-0
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) CCOCCOCCC (=O) OC (C) (C) C
Molecular Formula
C16H30O6
Molecular Weight
318.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis-PEG2-t-butyl ester
CAS Number1611468-28-0
PubChem CID77078175
IUPAC Nametert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propanoate
Molecular FormulaC16H30O6
Molecular Weight318.41
XLogP1.5
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count22
Formal Charge0
Complexity304
SMILES
CC(C)(C)OC(=O)CCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30O6/c1-15(2,3)21-13(17)7-9-19-11-12-20-10-8-14(18)22-16(4,5)6/h7-12H2,1-6H3
InChIKey
ALKAASHAFVQEJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG2-t-butyl ester
CAS: 1611468-28-0
CID: 77078175
Formula: C16H30O6
MW: 318.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.41
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass318.20423867
Monoisotopic Mass318.20423867
Topological Polar Surface Area71.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity304
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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