tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane

C25H31O3PSi — CID 4961432

IUPACtert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane
SMILESCOc1ccc(O[Si](C)(C)C(C)(C)C)cc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31O3PSi/c1-25(2,3)30(5,6)28-20-17-18-23(27-4)24(19-20)29(26,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-19H,1-6H3
InChIKeySYKCRCGTUQGDND-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.72
Rot. Bonds6

About tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane

tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane (PubChem CID 4961432) has the molecular formula C25H31O3PSi and a molecular weight of 438.58 g/mol. Its IUPAC name is tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane
PubChem CID4961432
Molecular FormulaC25H31O3PSi
Molecular Weight438.58 g/mol
Exact Mass438.18
IUPAC Nametert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane
SMILESCOc1ccc(O[Si](C)(C)C(C)(C)C)cc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31O3PSi/c1-25(2,3)30(5,6)28-20-17-18-23(27-4)24(19-20)29(26,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-19H,1-6H3
InChIKeySYKCRCGTUQGDND-UHFFFAOYSA-N
XLogP5.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane (CID 4961432) is tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane is COc1ccc(O[Si](C)(C)C(C)(C)C)cc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane?
The InChIKey is SYKCRCGTUQGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31O3PSi/c1-25(2,3)30(5,6)28-20-17-18-23(27-4)24(19-20)29(26,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-19H,1-6H3.
What are the key properties of tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane?
tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane has a molecular weight of 438.58 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-diphenylphosphoryl-4-methoxyphenoxy)-dimethylsilane is sourced from PubChem (CID 4961432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).