tert-butyl-(4-methylphenyl)-diphenylsilane

C23H26Si — CID 140525033

IUPACtert-butyl-(4-methylphenyl)-diphenylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C23H26Si/c1-19-15-17-22(18-16-19)24(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,1-4H3
InChIKeyWVDBQXCSNIYEIH-UHFFFAOYSA-N
MW330.55 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl-(4-methylphenyl)-diphenylsilane

tert-butyl-(4-methylphenyl)-diphenylsilane (PubChem CID 140525033) has the molecular formula C23H26Si and a molecular weight of 330.55 g/mol. Its IUPAC name is tert-butyl-(4-methylphenyl)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(4-methylphenyl)-diphenylsilane
PubChem CID140525033
Molecular FormulaC23H26Si
Molecular Weight330.55 g/mol
Exact Mass330.18
IUPAC Nametert-butyl-(4-methylphenyl)-diphenylsilane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C23H26Si/c1-19-15-17-22(18-16-19)24(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,1-4H3
InChIKeyWVDBQXCSNIYEIH-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tert-butyl-(4-methylphenyl)-diphenylsilane?
The IUPAC name of tert-butyl-(4-methylphenyl)-diphenylsilane (CID 140525033) is tert-butyl-(4-methylphenyl)-diphenylsilane.
What is the SMILES notation for tert-butyl-(4-methylphenyl)-diphenylsilane?
The canonical SMILES for tert-butyl-(4-methylphenyl)-diphenylsilane is Cc1ccc([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-(4-methylphenyl)-diphenylsilane?
The InChIKey is WVDBQXCSNIYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Si/c1-19-15-17-22(18-16-19)24(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,1-4H3.
What are the key properties of tert-butyl-(4-methylphenyl)-diphenylsilane?
tert-butyl-(4-methylphenyl)-diphenylsilane has a molecular weight of 330.55 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-methylphenyl)-diphenylsilane is sourced from PubChem (CID 140525033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).