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Bis-PEG3-t-butyl ester

CAT: 0127-OR1042172-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1042172-01Size:100 mg
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CAS Number
1611468-29-1
MDL Number
MFCD29059859
Purity
97%
Smiles
CC(C)(C)OC(CCOCCOCCOCCC(OC(C)(C)C)=O)=O

Chemical Information

Bis-PEG3-t-butyl ester
CAS Number1611468-29-1
PubChem CID118796271
IUPAC Nametert-butyl 3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC18H34O7
Molecular Weight362.5
XLogP1.4
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count25
Formal Charge0
Complexity344
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C18H34O7/c1-17(2,3)24-15(19)7-9-21-11-13-23-14-12-22-10-8-16(20)25-18(4,5)6/h7-14H2,1-6H3
InChIKey
BIABJXAWGDLLJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG3-t-butyl ester
CAS: 1611468-29-1
CID: 118796271
Formula: C18H34O7
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass362.23045342
Monoisotopic Mass362.23045342
Topological Polar Surface Area80.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity344
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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