tetrakis(1-triethoxysilylpropyl)silane

C36H84O12Si5 — CID 18414842

IUPACtetrakis(1-triethoxysilylpropyl)silane
SMILESCCO[Si](OCC)(OCC)C(CC)[Si](C(CC)[Si](OCC)(OCC)OCC)(C(CC)[Si](OCC)(OCC)OCC)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C36H84O12Si5/c1-17-33(50(37-21-5,38-22-6)39-23-7)49(34(18-2)51(40-24-8,41-25-9)42-26-10,35(19-3)52(43-27-11,44-28-12)45-29-13)36(20-4)53(46-30-14,47-31-15)48-32-16/h33-36H,17-32H2,1-16H3
InChIKeyOOJORGIADVYUDF-UHFFFAOYSA-N
MW849.49 g/mol
LogP8.91
Rot. Bonds36

About tetrakis(1-triethoxysilylpropyl)silane

tetrakis(1-triethoxysilylpropyl)silane (PubChem CID 18414842) has the molecular formula C36H84O12Si5 and a molecular weight of 849.49 g/mol. Its IUPAC name is tetrakis(1-triethoxysilylpropyl)silane.

Molecular Properties

Compound Nametetrakis(1-triethoxysilylpropyl)silane
PubChem CID18414842
Molecular FormulaC36H84O12Si5
Molecular Weight849.49 g/mol
Exact Mass848.48
IUPAC Nametetrakis(1-triethoxysilylpropyl)silane
SMILESCCO[Si](OCC)(OCC)C(CC)[Si](C(CC)[Si](OCC)(OCC)OCC)(C(CC)[Si](OCC)(OCC)OCC)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C36H84O12Si5/c1-17-33(50(37-21-5,38-22-6)39-23-7)49(34(18-2)51(40-24-8,41-25-9)42-26-10,35(19-3)52(43-27-11,44-28-12)45-29-13)36(20-4)53(46-30-14,47-31-15)48-32-16/h33-36H,17-32H2,1-16H3
InChIKeyOOJORGIADVYUDF-UHFFFAOYSA-N
XLogP8.91
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.49
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-triethoxysilylpropyl)silane?
The IUPAC name of tetrakis(1-triethoxysilylpropyl)silane (CID 18414842) is tetrakis(1-triethoxysilylpropyl)silane.
What is the SMILES notation for tetrakis(1-triethoxysilylpropyl)silane?
The canonical SMILES for tetrakis(1-triethoxysilylpropyl)silane is CCO[Si](OCC)(OCC)C(CC)[Si](C(CC)[Si](OCC)(OCC)OCC)(C(CC)[Si](OCC)(OCC)OCC)C(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of tetrakis(1-triethoxysilylpropyl)silane?
The InChIKey is OOJORGIADVYUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H84O12Si5/c1-17-33(50(37-21-5,38-22-6)39-23-7)49(34(18-2)51(40-24-8,41-25-9)42-26-10,35(19-3)52(43-27-11,44-28-12)45-29-13)36(20-4)53(46-30-14,47-31-15)48-32-16/h33-36H,17-32H2,1-16H3.
What are the key properties of tetrakis(1-triethoxysilylpropyl)silane?
tetrakis(1-triethoxysilylpropyl)silane has a molecular weight of 849.49 g/mol, XLogP of 8.91, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-triethoxysilylpropyl)silane is sourced from PubChem (CID 18414842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).