tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane

C24H28O3Si — CID 69365590

IUPACtert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane
SMILESCOc1cc(OC)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C24H28O3Si/c1-24(2,3)28(22-12-8-6-9-13-22,23-14-10-7-11-15-23)27-21-17-19(25-4)16-20(18-21)26-5/h6-18H,1-5H3
InChIKeyXEGDNXAFJOJXKT-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane

tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane (PubChem CID 69365590) has the molecular formula C24H28O3Si and a molecular weight of 392.57 g/mol. Its IUPAC name is tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane
PubChem CID69365590
Molecular FormulaC24H28O3Si
Molecular Weight392.57 g/mol
Exact Mass392.18
IUPAC Nametert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane
SMILESCOc1cc(OC)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C24H28O3Si/c1-24(2,3)28(22-12-8-6-9-13-22,23-14-10-7-11-15-23)27-21-17-19(25-4)16-20(18-21)26-5/h6-18H,1-5H3
InChIKeyXEGDNXAFJOJXKT-UHFFFAOYSA-N
XLogP4.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane (CID 69365590) is tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane is COc1cc(OC)cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane?
The InChIKey is XEGDNXAFJOJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3Si/c1-24(2,3)28(22-12-8-6-9-13-22,23-14-10-7-11-15-23)27-21-17-19(25-4)16-20(18-21)26-5/h6-18H,1-5H3.
What are the key properties of tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane?
tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane has a molecular weight of 392.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,5-dimethoxyphenoxy)-diphenylsilane is sourced from PubChem (CID 69365590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).