tetrakis(tributylsilyl) silicate

C48H108O4Si5 — CID 163284439

IUPACtetrakis(tributylsilyl) silicate
SMILESCCCC[Si](CCCC)(CCCC)O[Si](O[Si](CCCC)(CCCC)CCCC)(O[Si](CCCC)(CCCC)CCCC)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C48H108O4Si5/c1-13-25-37-53(38-26-14-2,39-27-15-3)49-57(50-54(40-28-16-4,41-29-17-5)42-30-18-6,51-55(43-31-19-7,44-32-20-8)45-33-21-9)52-56(46-34-22-10,47-35-23-11)48-36-24-12/h13-48H2,1-12H3
InChIKeyLAVBMSKGYDXFLN-UHFFFAOYSA-N
MW889.82 g/mol
LogP18.87
Rot. Bonds44

About tetrakis(tributylsilyl) silicate

tetrakis(tributylsilyl) silicate (PubChem CID 163284439) has the molecular formula C48H108O4Si5 and a molecular weight of 889.82 g/mol. Its IUPAC name is tetrakis(tributylsilyl) silicate.

Molecular Properties

Compound Nametetrakis(tributylsilyl) silicate
PubChem CID163284439
Molecular FormulaC48H108O4Si5
Molecular Weight889.82 g/mol
Exact Mass888.71
IUPAC Nametetrakis(tributylsilyl) silicate
SMILESCCCC[Si](CCCC)(CCCC)O[Si](O[Si](CCCC)(CCCC)CCCC)(O[Si](CCCC)(CCCC)CCCC)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C48H108O4Si5/c1-13-25-37-53(38-26-14-2,39-27-15-3)49-57(50-54(40-28-16-4,41-29-17-5)42-30-18-6,51-55(43-31-19-7,44-32-20-8)45-33-21-9)52-56(46-34-22-10,47-35-23-11)48-36-24-12/h13-48H2,1-12H3
InChIKeyLAVBMSKGYDXFLN-UHFFFAOYSA-N
XLogP18.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.82
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tributyl(germyloxy)silane
CID 159018718
bis[[dipentyl(tripentylsilyloxy)silyl]oxy]-dipentylsilane
CID 139707262
[dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane
CID 141006663
butoxy(tributyl)silane
CID 594608
butyl-methoxy-dipropylsilane
CID 22228688
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
tributyl(decoxy)silane
CID 523467
butoxy-dibutyl-ethylsilane
CID 141095554
tributyl(trihydroxysilylperoxy)silane
CID 140667716
butyl-tris(trimethylsilyloxy)silane
CID 19881442
dibutyl-(iodomethyl)-propoxysilane
CID 23146625
tributylsilyl hydrogen sulfate
CID 18317151

Frequently Asked Questions

What is the IUPAC name of tetrakis(tributylsilyl) silicate?
The IUPAC name of tetrakis(tributylsilyl) silicate (CID 163284439) is tetrakis(tributylsilyl) silicate.
What is the SMILES notation for tetrakis(tributylsilyl) silicate?
The canonical SMILES for tetrakis(tributylsilyl) silicate is CCCC[Si](CCCC)(CCCC)O[Si](O[Si](CCCC)(CCCC)CCCC)(O[Si](CCCC)(CCCC)CCCC)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tetrakis(tributylsilyl) silicate?
The InChIKey is LAVBMSKGYDXFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H108O4Si5/c1-13-25-37-53(38-26-14-2,39-27-15-3)49-57(50-54(40-28-16-4,41-29-17-5)42-30-18-6,51-55(43-31-19-7,44-32-20-8)45-33-21-9)52-56(46-34-22-10,47-35-23-11)48-36-24-12/h13-48H2,1-12H3.
What are the key properties of tetrakis(tributylsilyl) silicate?
tetrakis(tributylsilyl) silicate has a molecular weight of 889.82 g/mol, XLogP of 18.87, 44 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(tributylsilyl) silicate is sourced from PubChem (CID 163284439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).