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OtBu-PEG8-OtBu

CAT: 0695-MD067067-8Size: InquireDry Ice: NoHazardous: No
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CAS Number
2225903-62-6

Chemical Information

PEG9-Bis-t-butyl ester
CAS Number2225903-62-6
PubChem CID77078475
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC30H58O13
Molecular Weight626.8
XLogP0.5
Topological Polar Surface Area136
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Heavy Atom Count43
Formal Charge0
Complexity593
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C30H58O13/c1-29(2,3)42-27(31)7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-26-24-40-22-20-38-18-16-36-14-12-34-10-8-28(32)43-30(4,5)6/h7-26H2,1-6H3
InChIKey
NECUJIBRWJCANS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PEG9-Bis-t-butyl ester
CAS: 2225903-62-6
CID: 77078475
Formula: C30H58O13
MW: 626.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.8
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Exact Mass626.38774190
Monoisotopic Mass626.38774190
Topological Polar Surface Area136 Ų
Heavy Atom Count43
Formal Charge0
Complexity593
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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