triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane

C54H114O12S11Si4 — CID 87139969

IUPACtriethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
SMILESCCO[Si](CCCSSSSCCC1CC(CC[Si](OCC)(OCC)OCC)CCC1CCSSSCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C54H114O12S11Si4/c1-13-55-78(56-14-2,57-15-3)43-25-37-67-74-76-71-41-33-53-47-49(35-45-80(61-19-7,62-20-8)63-21-9)27-29-51(53)31-39-69-73-70-40-32-52-30-28-50(36-46-81(64-22-10,65-23-11)66-24-12)48-54(52)34-42-72-77-75-68-38-26-44-79(58-16-4,59-17-5)60-18-6/h49-54H,13-48H2,1-12H3
InChIKeyIFGSXBRHRGNBQI-UHFFFAOYSA-N
MW1420.57 g/mol
LogP19.75
Rot. Bonds58

About triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane

triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane (PubChem CID 87139969) has the molecular formula C54H114O12S11Si4 and a molecular weight of 1420.57 g/mol. Its IUPAC name is triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
PubChem CID87139969
Molecular FormulaC54H114O12S11Si4
Molecular Weight1420.57 g/mol
Exact Mass1418.43
IUPAC Nametriethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
SMILESCCO[Si](CCCSSSSCCC1CC(CC[Si](OCC)(OCC)OCC)CCC1CCSSSCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C54H114O12S11Si4/c1-13-55-78(56-14-2,57-15-3)43-25-37-67-74-76-71-41-33-53-47-49(35-45-80(61-19-7,62-20-8)63-21-9)27-29-51(53)31-39-69-73-70-40-32-52-30-28-50(36-46-81(64-22-10,65-23-11)66-24-12)48-54(52)34-42-72-77-75-68-38-26-44-79(58-16-4,59-17-5)60-18-6/h49-54H,13-48H2,1-12H3
InChIKeyIFGSXBRHRGNBQI-UHFFFAOYSA-N
XLogP19.75
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds58
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.57
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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'}

Analyze triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane with MolForge

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Related Compounds

triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
CID 87112047
triethoxy-[3-[2-[2-(2-triethoxysilylethyl)-5-[2-(3-triethoxysilylpropyldisulfanyl)ethyl]cyclohexyl]ethyldisulfanyl]propyl]silane
CID 87112069
S-[2-[2-(2-acetylsulfanylethyl)-4-(2-triethoxysilylethyl)cyclohexyl]ethyl] ethanethioate
CID 88876874
2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane
CID 156703702
triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
CID 174845742
triethoxy-[3-[2-[1-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane
CID 87139884
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
3-[2-[4-butyl-2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]cyclohexyl]ethyl-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanyl]propyl-triethoxysilane;diethoxy(oxo)silane
CID 160797626
3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
CID 87342465
(3-triethoxysilylpropyltetrasulfanyl) 2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 175258500
2-methoxy-4-(2-triethoxysilylethyl)cyclohexan-1-ol
CID 141485190
butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane
CID 18462296

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane (CID 87139969) is triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane is CCO[Si](CCCSSSSCCC1CC(CC[Si](OCC)(OCC)OCC)CCC1CCSSSCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
The InChIKey is IFGSXBRHRGNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H114O12S11Si4/c1-13-55-78(56-14-2,57-15-3)43-25-37-67-74-76-71-41-33-53-47-49(35-45-80(61-19-7,62-20-8)63-21-9)27-29-51(53)31-39-69-73-70-40-32-52-30-28-50(36-46-81(64-22-10,65-23-11)66-24-12)48-54(52)34-42-72-77-75-68-38-26-44-79(58-16-4,59-17-5)60-18-6/h49-54H,13-48H2,1-12H3.
What are the key properties of triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane?
triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane has a molecular weight of 1420.57 g/mol, XLogP of 19.75, 58 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[5-(2-triethoxysilylethyl)-2-[2-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropyltetrasulfanyl)ethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyltetrasulfanyl]propyl]silane is sourced from PubChem (CID 87139969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).