tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane

C36H46O2S2Si2 — CID 54264356

IUPACtert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCSSCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H46O2S2Si2/c1-35(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)37-27-29-39-40-30-28-38-42(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26H,27-30H2,1-6H3
InChIKeyRFSGWGASSQZXDJ-UHFFFAOYSA-N
MW631.07 g/mol
LogP7.52
Rot. Bonds13

About tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane

tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane (PubChem CID 54264356) has the molecular formula C36H46O2S2Si2 and a molecular weight of 631.07 g/mol. Its IUPAC name is tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
PubChem CID54264356
Molecular FormulaC36H46O2S2Si2
Molecular Weight631.07 g/mol
Exact Mass630.25
IUPAC Nametert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCSSCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H46O2S2Si2/c1-35(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)37-27-29-39-40-30-28-38-42(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26H,27-30H2,1-6H3
InChIKeyRFSGWGASSQZXDJ-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.07
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane (CID 54264356) is tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane is CC(C)(C)[Si](OCCSSCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane?
The InChIKey is RFSGWGASSQZXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46O2S2Si2/c1-35(2,3)41(31-19-11-7-12-20-31,32-21-13-8-14-22-32)37-27-29-39-40-30-28-38-42(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26H,27-30H2,1-6H3.
What are the key properties of tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane?
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane has a molecular weight of 631.07 g/mol, XLogP of 7.52, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane is sourced from PubChem (CID 54264356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).