tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane

C26H32OSSi — CID 10717045

IUPACtert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane
SMILESCC(C)(C)[Si](OCCCCSc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32OSSi/c1-26(2,3)29(24-17-9-5-10-18-24,25-19-11-6-12-20-25)27-21-13-14-22-28-23-15-7-4-8-16-23/h4-12,15-20H,13-14,21-22H2,1-3H3
InChIKeyZVKHWDQQPKSATL-UHFFFAOYSA-N
MW420.69 g/mol
LogP6.14
Rot. Bonds9

About tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane

tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane (PubChem CID 10717045) has the molecular formula C26H32OSSi and a molecular weight of 420.69 g/mol. Its IUPAC name is tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane
PubChem CID10717045
Molecular FormulaC26H32OSSi
Molecular Weight420.69 g/mol
Exact Mass420.19
IUPAC Nametert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane
SMILESCC(C)(C)[Si](OCCCCSc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32OSSi/c1-26(2,3)29(24-17-9-5-10-18-24,25-19-11-6-12-20-25)27-21-13-14-22-28-23-15-7-4-8-16-23/h4-12,15-20H,13-14,21-22H2,1-3H3
InChIKeyZVKHWDQQPKSATL-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane (CID 10717045) is tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane is CC(C)(C)[Si](OCCCCSc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane?
The InChIKey is ZVKHWDQQPKSATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32OSSi/c1-26(2,3)29(24-17-9-5-10-18-24,25-19-11-6-12-20-25)27-21-13-14-22-28-23-15-7-4-8-16-23/h4-12,15-20H,13-14,21-22H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane?
tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane has a molecular weight of 420.69 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(4-phenylsulfanylbutoxy)silane is sourced from PubChem (CID 10717045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).