tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane

C36H46O2Si2 — CID 135064803

IUPACtert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H46O2Si2/c1-35(2,3)39(31-21-11-7-12-22-31,32-23-13-8-14-24-32)37-29-19-20-30-38-40(36(4,5)6,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h7-18,21-28H,19-20,29-30H2,1-6H3
InChIKeyPSLKKFOKGKHGFT-UHFFFAOYSA-N
MW566.93 g/mol
LogP6.92
Rot. Bonds11

About tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane

tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane (PubChem CID 135064803) has the molecular formula C36H46O2Si2 and a molecular weight of 566.93 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane
PubChem CID135064803
Molecular FormulaC36H46O2Si2
Molecular Weight566.93 g/mol
Exact Mass566.30
IUPAC Nametert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H46O2Si2/c1-35(2,3)39(31-21-11-7-12-22-31,32-23-13-8-14-24-32)37-29-19-20-30-38-40(36(4,5)6,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h7-18,21-28H,19-20,29-30H2,1-6H3
InChIKeyPSLKKFOKGKHGFT-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.93
LogP ≤ 56.92
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-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane (CID 135064803) is tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane?
The InChIKey is PSLKKFOKGKHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46O2Si2/c1-35(2,3)39(31-21-11-7-12-22-31,32-23-13-8-14-24-32)37-29-19-20-30-38-40(36(4,5)6,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h7-18,21-28H,19-20,29-30H2,1-6H3.
What are the key properties of tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane?
tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane has a molecular weight of 566.93 g/mol, XLogP of 6.92, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-diphenylsilane is sourced from PubChem (CID 135064803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).