triphenylsilyl benzoate

C25H20O2Si — CID 12568332

IUPACtriphenylsilyl benzoate
SMILESO=C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20O2Si/c26-25(21-13-5-1-6-14-21)27-28(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyZCHUXJIYMJIRMM-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.51
Rot. Bonds5

About triphenylsilyl benzoate

triphenylsilyl benzoate (PubChem CID 12568332) has the molecular formula C25H20O2Si and a molecular weight of 380.52 g/mol. Its IUPAC name is triphenylsilyl benzoate.

Molecular Properties

Compound Nametriphenylsilyl benzoate
PubChem CID12568332
Molecular FormulaC25H20O2Si
Molecular Weight380.52 g/mol
Exact Mass380.12
IUPAC Nametriphenylsilyl benzoate
SMILESO=C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20O2Si/c26-25(21-13-5-1-6-14-21)27-28(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyZCHUXJIYMJIRMM-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenylsilyl benzoate?
The IUPAC name of triphenylsilyl benzoate (CID 12568332) is triphenylsilyl benzoate.
What is the SMILES notation for triphenylsilyl benzoate?
The canonical SMILES for triphenylsilyl benzoate is O=C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylsilyl benzoate?
The InChIKey is ZCHUXJIYMJIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2Si/c26-25(21-13-5-1-6-14-21)27-28(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of triphenylsilyl benzoate?
triphenylsilyl benzoate has a molecular weight of 380.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl benzoate is sourced from PubChem (CID 12568332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).