triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane

C36H78O9S4Si3 — CID 59757195

IUPACtriethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane
SMILESCCO[Si](CCCS(=S)CCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(=S)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C36H78O9S4Si3/c1-10-37-50(38-11-2,39-12-3)30-19-26-48(46)28-23-35-22-21-34(25-32-52(43-16-7,44-17-8)45-18-9)33-36(35)24-29-49(47)27-20-31-51(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3
InChIKeyOPOSCJWVBPJSEU-UHFFFAOYSA-N
MW867.54 g/mol
LogP8.27
Rot. Bonds35

About triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane

triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane (PubChem CID 59757195) has the molecular formula C36H78O9S4Si3 and a molecular weight of 867.54 g/mol. Its IUPAC name is triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane
PubChem CID59757195
Molecular FormulaC36H78O9S4Si3
Molecular Weight867.54 g/mol
Exact Mass866.38
IUPAC Nametriethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane
SMILESCCO[Si](CCCS(=S)CCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(=S)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C36H78O9S4Si3/c1-10-37-50(38-11-2,39-12-3)30-19-26-48(46)28-23-35-22-21-34(25-32-52(43-16-7,44-17-8)45-18-9)33-36(35)24-29-49(47)27-20-31-51(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3
InChIKeyOPOSCJWVBPJSEU-UHFFFAOYSA-N
XLogP8.27
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.54
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane (CID 59757195) is triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane is CCO[Si](CCCS(=S)CCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(=S)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
The InChIKey is OPOSCJWVBPJSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78O9S4Si3/c1-10-37-50(38-11-2,39-12-3)30-19-26-48(46)28-23-35-22-21-34(25-32-52(43-16-7,44-17-8)45-18-9)33-36(35)24-29-49(47)27-20-31-51(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-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane?
triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane has a molecular weight of 867.54 g/mol, XLogP of 8.27, 35 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[4-(2-triethoxysilylethyl)-2-[2-(3-triethoxysilylpropylsulfinothioyl)ethyl]cyclohexyl]ethylsulfinothioyl]propyl]silane is sourced from PubChem (CID 59757195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).