3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane

C42H58O5S2Si2 — CID 156694816

IUPAC3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane
SMILESCCO[Si](CCCSC(C)(c1ccccc1)c1ccccc1)(OCC)O[Si](CCCSC(C)(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C42H58O5S2Si2/c1-7-43-50(44-8-2,35-23-33-48-41(5,37-25-15-11-16-26-37)38-27-17-12-18-28-38)47-51(45-9-3,46-10-4)36-24-34-49-42(6,39-29-19-13-20-30-39)40-31-21-14-22-32-40/h11-22,25-32H,7-10,23-24,33-36H2,1-6H3
InChIKeyOJIOFFCBWIADID-UHFFFAOYSA-N
MW763.23 g/mol
LogP11.20
Rot. Bonds24

About 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane

3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane (PubChem CID 156694816) has the molecular formula C42H58O5S2Si2 and a molecular weight of 763.23 g/mol. Its IUPAC name is 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane.

Molecular Properties

Compound Name3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane
PubChem CID156694816
Molecular FormulaC42H58O5S2Si2
Molecular Weight763.23 g/mol
Exact Mass762.33
IUPAC Name3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane
SMILESCCO[Si](CCCSC(C)(c1ccccc1)c1ccccc1)(OCC)O[Si](CCCSC(C)(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C42H58O5S2Si2/c1-7-43-50(44-8-2,35-23-33-48-41(5,37-25-15-11-16-26-37)38-27-17-12-18-28-38)47-51(45-9-3,46-10-4)36-24-34-49-42(6,39-29-19-13-20-30-39)40-31-21-14-22-32-40/h11-22,25-32H,7-10,23-24,33-36H2,1-6H3
InChIKeyOJIOFFCBWIADID-UHFFFAOYSA-N
XLogP11.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.23
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane?
The IUPAC name of 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane (CID 156694816) is 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane.
What is the SMILES notation for 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane?
The canonical SMILES for 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane is CCO[Si](CCCSC(C)(c1ccccc1)c1ccccc1)(OCC)O[Si](CCCSC(C)(c1ccccc1)c1ccccc1)(OCC)OCC.
What is the InChIKey of 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane?
The InChIKey is OJIOFFCBWIADID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H58O5S2Si2/c1-7-43-50(44-8-2,35-23-33-48-41(5,37-25-15-11-16-26-37)38-27-17-12-18-28-38)47-51(45-9-3,46-10-4)36-24-34-49-42(6,39-29-19-13-20-30-39)40-31-21-14-22-32-40/h11-22,25-32H,7-10,23-24,33-36H2,1-6H3.
What are the key properties of 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane?
3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane has a molecular weight of 763.23 g/mol, XLogP of 11.20, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diphenylethylsulfanyl)propyl-[3-(1,1-diphenylethylsulfanyl)propyl-diethoxysilyl]oxy-diethoxysilane is sourced from PubChem (CID 156694816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).