triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane

C36H78O9S10Si3 — CID 87112047

IUPACtriethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
SMILESCCO[Si](CCCSSSSSCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCSSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C36H78O9S10Si3/c1-10-37-56(38-11-2,39-12-3)30-19-26-46-50-54-52-48-28-23-35-22-21-34(25-32-58(43-16-7,44-17-8)45-18-9)33-36(35)24-29-49-53-55-51-47-27-20-31-57(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3
InChIKeyTZVNMTLJRLYUOP-UHFFFAOYSA-N
MW1059.94 g/mol
LogP14.77
Rot. Bonds43

About triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane

triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane (PubChem CID 87112047) has the molecular formula C36H78O9S10Si3 and a molecular weight of 1059.94 g/mol. Its IUPAC name is triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
PubChem CID87112047
Molecular FormulaC36H78O9S10Si3
Molecular Weight1059.94 g/mol
Exact Mass1058.22
IUPAC Nametriethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
SMILESCCO[Si](CCCSSSSSCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCSSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C36H78O9S10Si3/c1-10-37-56(38-11-2,39-12-3)30-19-26-46-50-54-52-48-28-23-35-22-21-34(25-32-58(43-16-7,44-17-8)45-18-9)33-36(35)24-29-49-53-55-51-47-27-20-31-57(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3
InChIKeyTZVNMTLJRLYUOP-UHFFFAOYSA-N
XLogP14.77
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001059.94
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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
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-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane (CID 87112047) is triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane is CCO[Si](CCCSSSSSCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCSSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane?
The InChIKey is TZVNMTLJRLYUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78O9S10Si3/c1-10-37-56(38-11-2,39-12-3)30-19-26-46-50-54-52-48-28-23-35-22-21-34(25-32-58(43-16-7,44-17-8)45-18-9)33-36(35)24-29-49-53-55-51-47-27-20-31-57(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3.
What are the key properties of triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane?
triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane has a molecular weight of 1059.94 g/mol, XLogP of 14.77, 43 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane is sourced from PubChem (CID 87112047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).