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TCO-PEG3-triethoxysilane

CAT: 0127-BIPG2416-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2416-01Size:50 mg
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CAS Number
2250217-32-2
Purity
95%
Smiles
CCO[Si] (CCCNC (=O) CCOCCOCCOCCNC (=O) OC1CCCC=CCC1) (OCC) OCC

Chemical Information

TCO-PEG3-triethoxysilane
CAS Number2250217-32-2
PubChem CID146026029
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[3-oxo-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC27H52N2O9Si
Molecular Weight576.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Heavy Atom Count39
Formal Charge0
Complexity638
SMILES
CCO[Si](CCCNC(=O)CCOCCOCCOCCNC(=O)OC1CCC/C=C\CC1)(OCC)OCC
InChI
InChI=1S/C27H52N2O9Si/c1-4-35-39(36-5-2,37-6-3)24-12-16-28-26(30)15-18-32-20-22-34-23-21-33-19-17-29-27(31)38-25-13-10-8-7-9-11-14-25/h7-8,25H,4-6,9-24H2,1-3H3,(H,28,30)(H,29,31)/b8-7-
InChIKey
ZXQAFZQBZKLJGI-FPLPWBNLSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG3-triethoxysilane
CAS: 2250217-32-2
CID: 146026029
Formula: C27H52N2O9Si
MW: 576.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Exact Mass576.34420777
Monoisotopic Mass576.34420777
Topological Polar Surface Area123 Ų
Heavy Atom Count39
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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