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

C32H68O6S8Si2 — CID 59757199

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
SMILESCCCCC1CCC(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1
InChIInChI=1S/C32H68O6S8Si2/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/h30-32H,8-29H2,1-7H3
InChIKeyLYXSPSIFRSHANJ-UHFFFAOYSA-N
MW861.60 g/mol
LogP8.02
Rot. Bonds29

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

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 (PubChem CID 59757199) has the molecular formula C32H68O6S8Si2 and a molecular weight of 861.60 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.

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
PubChem CID59757199
Molecular FormulaC32H68O6S8Si2
Molecular Weight861.60 g/mol
Exact Mass860.23
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
SMILESCCCCC1CCC(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1
InChIInChI=1S/C32H68O6S8Si2/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/h30-32H,8-29H2,1-7H3
InChIKeyLYXSPSIFRSHANJ-UHFFFAOYSA-N
XLogP8.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.60
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 59757199) 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.
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?
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 is CCCCC1CCC(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C(CCS(CCC[Si](OCC)(OCC)OCC)=S=S=S)C1.
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?
The InChIKey is LYXSPSIFRSHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68O6S8Si2/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/h30-32H,8-29H2,1-7H3.
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?
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 has a molecular weight of 861.60 g/mol, XLogP of 8.02, 29 rotatable bonds, 0 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 59757199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).