diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane

C17H40O5S4Si2 — CID 58104745

IUPACdiethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane
SMILESCCO[Si](C)(CCCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)OCC
InChIInChI=1S/C17H40O5S4Si2/c1-7-18-27(6,19-8-2)16-12-14-26(25-24-23)15-13-17-28(20-9-3,21-10-4)22-11-5/h7-17H2,1-6H3
InChIKeyJJHLUALCPWJHLB-UHFFFAOYSA-N
MW508.94 g/mol
LogP4.04
Rot. Bonds18

About diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane

diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane (PubChem CID 58104745) has the molecular formula C17H40O5S4Si2 and a molecular weight of 508.94 g/mol. Its IUPAC name is diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane
PubChem CID58104745
Molecular FormulaC17H40O5S4Si2
Molecular Weight508.94 g/mol
Exact Mass508.13
IUPAC Namediethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane
SMILESCCO[Si](C)(CCCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)OCC
InChIInChI=1S/C17H40O5S4Si2/c1-7-18-27(6,19-8-2)16-12-14-26(25-24-23)15-13-17-28(20-9-3,21-10-4)22-11-5/h7-17H2,1-6H3
InChIKeyJJHLUALCPWJHLB-UHFFFAOYSA-N
XLogP4.04
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.94
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-dimethyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-trimethylsilylpropyl)-λ4-sulfanyl]propyl]silane
CID 58250142
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
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
diethoxy-methyl-undecylsilane
CID 140884401
triethyl(3-triethoxysilylpropyl)azanium iodide
CID 139933517
diethoxy-methyl-(2-trimethylsilylsulfanylethyl)silane
CID 88867782
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
CID 165005930
28-chlorooctacosyl(triethoxy)silane
CID 87685970
3-[1-[2,2-bis[1-(3-triethoxysilylpropylsulfanyl)ethoxymethyl]butoxy]ethylsulfanyl]propyl-diethoxy-methylsilane
CID 59408010
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy(henicosyl)silane
CID 141362894

Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane?
The IUPAC name of diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane (CID 58104745) is diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane.
What is the SMILES notation for diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane?
The canonical SMILES for diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane is CCO[Si](C)(CCCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)OCC.
What is the InChIKey of diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane?
The InChIKey is JJHLUALCPWJHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O5S4Si2/c1-7-18-27(6,19-8-2)16-12-14-26(25-24-23)15-13-17-28(20-9-3,21-10-4)22-11-5/h7-17H2,1-6H3.
What are the key properties of diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane?
diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane has a molecular weight of 508.94 g/mol, XLogP of 4.04, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]propyl]silane is sourced from PubChem (CID 58104745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).