triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane

C36H78O9S8Si3 — CID 59408008

About triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane

triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane (PubChem CID 59408008) has the molecular formula C36H78O9S8Si3 and a molecular weight of 995.80 g/mol. Its IUPAC name is triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane.

Molecular Properties

• Compound Name: triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane
• PubChem CID: 59408008
• Molecular Formula: C36H78O9S8Si3
• Molecular Weight: 995.80 g/mol
• Exact Mass: 994.27
• IUPAC Name: triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane
• SMILES: CCO[Si](CCCS(CCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)=S=S=S)(OCC)OCC
• InChI: InChI=1S/C36H78O9S8Si3/c1-10-37-54(38-11-2,39-12-3)30-19-26-52(50-48-46)28-23-35-22-21-34(25-32-56(43-16-7,44-17-8)45-18-9)33-36(35)24-29-53(51-49-47)27-20-31-55(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3
• InChIKey: JSUDGOPSSLQOFL-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 83.07 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 35
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.80
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane?

The IUPAC name of triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane (CID 59408008) is triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane.

What is the SMILES notation for triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane?

The canonical SMILES for triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane is CCO[Si](CCCS(CCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)=S=S=S)(OCC)OCC.

What is the InChIKey of triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane?

The InChIKey is JSUDGOPSSLQOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78O9S8Si3/c1-10-37-54(38-11-2,39-12-3)30-19-26-52(50-48-46)28-23-35-22-21-34(25-32-56(43-16-7,44-17-8)45-18-9)33-36(35)24-29-53(51-49-47)27-20-31-55(40-13-4,41-14-5)42-15-6/h34-36H,10-33H2,1-9H3.

What are the key properties of triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane?

triethoxy-[3-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane has a molecular weight of 995.80 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-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-[2-[2-[2-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-(3-triethoxysilylpropyl)-λ4-sulfanyl]ethyl]-4-(2-triethoxysilylethyl)cyclohexyl]ethyl]-λ4-sulfanyl]propyl]silane is sourced from PubChem (CID 59408008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).