bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane

C40H36O2Si3 — CID 59659800

IUPACbis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane
SMILESC=C[Si](O[Si](O[Si](C=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36O2Si3/c1-3-43(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-45(39-31-19-9-20-32-39,40-33-21-10-22-34-40)42-44(4-2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h3-34H,1-2H2
InChIKeyQCZJJBSPIBMMEF-UHFFFAOYSA-N
MW632.98 g/mol
LogP5.25
Rot. Bonds12

About bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane

bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane (PubChem CID 59659800) has the molecular formula C40H36O2Si3 and a molecular weight of 632.98 g/mol. Its IUPAC name is bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane.

Molecular Properties

Compound Namebis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane
PubChem CID59659800
Molecular FormulaC40H36O2Si3
Molecular Weight632.98 g/mol
Exact Mass632.20
IUPAC Namebis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane
SMILESC=C[Si](O[Si](O[Si](C=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36O2Si3/c1-3-43(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-45(39-31-19-9-20-32-39,40-33-21-10-22-34-40)42-44(4-2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h3-34H,1-2H2
InChIKeyQCZJJBSPIBMMEF-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.98
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane?
The IUPAC name of bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane (CID 59659800) is bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane.
What is the SMILES notation for bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane?
The canonical SMILES for bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane is C=C[Si](O[Si](O[Si](C=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane?
The InChIKey is QCZJJBSPIBMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O2Si3/c1-3-43(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-45(39-31-19-9-20-32-39,40-33-21-10-22-34-40)42-44(4-2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h3-34H,1-2H2.
What are the key properties of bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane?
bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane has a molecular weight of 632.98 g/mol, XLogP of 5.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[ethenyl(diphenyl)silyl]oxy]-diphenylsilane is sourced from PubChem (CID 59659800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).