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

C36H78O9S8Si3 — CID 160797626

IUPAC3-[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
SMILESCCCCC1CCC(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1.CCO[Si](=O)OCC
InChIInChI=1S/C32H68O6S8Si2.C4H10O3Si/c1-8-15-18-30-19-20-31(21-25-45(43-41-39)23-16-27-47(33-9-2,34-10-3)35-11-4)32(29-30)22-26-46(44-42-40)24-17-28-48(36-12-5,37-13-6)38-14-7;1-3-6-8(5)7-4-2/h30-32H,8-29H2,1-7H3;3-4H2,1-2H3
InChIKeySCQLMIUFLLAINT-UHFFFAOYSA-N
MW995.80 g/mol
LogP8.49
Rot. Bonds33

About 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

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 (PubChem CID 160797626) has the molecular formula C36H78O9S8Si3 and a molecular weight of 995.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID160797626
Molecular FormulaC36H78O9S8Si3
Molecular Weight995.80 g/mol
Exact Mass994.27
IUPAC Name3-[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
SMILESCCCCC1CCC(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1.CCO[Si](=O)OCC
InChIInChI=1S/C32H68O6S8Si2.C4H10O3Si/c1-8-15-18-30-19-20-31(21-25-45(43-41-39)23-16-27-47(33-9-2,34-10-3)35-11-4)32(29-30)22-26-46(44-42-40)24-17-28-48(36-12-5,37-13-6)38-14-7;1-3-6-8(5)7-4-2/h30-32H,8-29H2,1-7H3;3-4H2,1-2H3
InChIKeySCQLMIUFLLAINT-UHFFFAOYSA-N
XLogP8.49
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds33
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.80
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane
CID 58104745
triethoxy-[3-[2-[2-(2-triethoxysilylethyl)-5-[2-(3-triethoxysilylpropyldisulfanyl)ethyl]cyclohexyl]ethyldisulfanyl]propyl]silane
CID 87112069
triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylpentasulfanyl)ethyl]cyclohexyl]ethylpentasulfanyl]propyl]silane
CID 87112047
S-[2-[2-(2-acetylsulfanylethyl)-4-(2-triethoxysilylethyl)cyclohexyl]ethyl] ethanethioate
CID 88876874
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
ethoxy-dimethyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-trimethylsilylpropyl)-λ4-sulfanyl]propyl]silane
CID 58250142
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
2-(7-azabicyclo[4.1.0]heptan-3-yl)ethyl-triethoxysilane
CID 156703702
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
2-butyl-4-ethyl-1-propylcyclohexane
CID 123402768
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC1CCC(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1.CCO[Si](=O)OCC.
What is the InChIKey of 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?
The InChIKey is SCQLMIUFLLAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68O6S8Si2.C4H10O3Si/c1-8-15-18-30-19-20-31(21-25-45(43-41-39)23-16-27-47(33-9-2,34-10-3)35-11-4)32(29-30)22-26-46(44-42-40)24-17-28-48(36-12-5,37-13-6)38-14-7;1-3-6-8(5)7-4-2/h30-32H,8-29H2,1-7H3;3-4H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 995.80 g/mol, XLogP of 8.49, 33 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160797626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).