triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane

C36H78O9S8Si3 — CID 87139884

IUPACtriethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
SMILESCCO[Si](CCCSSSSCCC1CCCCC1(CCSSSSCCC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C36H78O9S8Si3/c1-10-37-54(38-11-2,39-12-3)32-21-28-46-50-52-48-30-24-35-23-19-20-25-36(35,27-34-56(43-16-7,44-17-8)45-18-9)26-31-49-53-51-47-29-22-33-55(40-13-4,41-14-5)42-15-6/h35H,10-34H2,1-9H3
InChIKeyCQHZAIHKRGEJBW-UHFFFAOYSA-N
MW995.80 g/mol
LogP13.61
Rot. Bonds41

About triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane

triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane (PubChem CID 87139884) has the molecular formula C36H78O9S8Si3 and a molecular weight of 995.80 g/mol. Its IUPAC name is triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
PubChem CID87139884
Molecular FormulaC36H78O9S8Si3
Molecular Weight995.80 g/mol
Exact Mass994.27
IUPAC Nametriethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
SMILESCCO[Si](CCCSSSSCCC1CCCCC1(CCSSSSCCC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C36H78O9S8Si3/c1-10-37-54(38-11-2,39-12-3)32-21-28-46-50-52-48-30-24-35-23-19-20-25-36(35,27-34-56(43-16-7,44-17-8)45-18-9)26-31-49-53-51-47-29-22-33-55(40-13-4,41-14-5)42-15-6/h35H,10-34H2,1-9H3
InChIKeyCQHZAIHKRGEJBW-UHFFFAOYSA-N
XLogP13.61
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds41
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.80
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane (CID 87139884) is triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane is CCO[Si](CCCSSSSCCC1CCCCC1(CCSSSSCCC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
The InChIKey is CQHZAIHKRGEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78O9S8Si3/c1-10-37-54(38-11-2,39-12-3)32-21-28-46-50-52-48-30-24-35-23-19-20-25-36(35,27-34-56(43-16-7,44-17-8)45-18-9)26-31-49-53-51-47-29-22-33-55(40-13-4,41-14-5)42-15-6/h35H,10-34H2,1-9H3.
What are the key properties of triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane has a molecular weight of 995.80 g/mol, XLogP of 13.61, 41 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane is sourced from PubChem (CID 87139884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).