triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane

C40H86O9S2Si3 — CID 67244787

IUPACtriethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane
SMILESCCO[Si](CCCSCCCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C40H86O9S2Si3/c1-10-41-52(42-11-2,43-12-3)34-23-32-50-30-21-19-25-39-28-27-38(29-36-54(47-16-7,48-17-8)49-18-9)37-40(39)26-20-22-31-51-33-24-35-53(44-13-4,45-14-5)46-15-6/h38-40H,10-37H2,1-9H3
InChIKeyIURRBKBDTNVSLN-UHFFFAOYSA-N
MW859.51 g/mol
LogP11.14
Rot. Bonds39

About triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane

triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane (PubChem CID 67244787) has the molecular formula C40H86O9S2Si3 and a molecular weight of 859.51 g/mol. Its IUPAC name is triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane
PubChem CID67244787
Molecular FormulaC40H86O9S2Si3
Molecular Weight859.51 g/mol
Exact Mass858.50
IUPAC Nametriethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane
SMILESCCO[Si](CCCSCCCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C40H86O9S2Si3/c1-10-41-52(42-11-2,43-12-3)34-23-32-50-30-21-19-25-39-28-27-38(29-36-54(47-16-7,48-17-8)49-18-9)37-40(39)26-20-22-31-51-33-24-35-53(44-13-4,45-14-5)46-15-6/h38-40H,10-37H2,1-9H3
InChIKeyIURRBKBDTNVSLN-UHFFFAOYSA-N
XLogP11.14
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds39
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.51
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane?
The IUPAC name of triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane (CID 67244787) is triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane is CCO[Si](CCCSCCCCC1CCC(CC[Si](OCC)(OCC)OCC)CC1CCCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane?
The InChIKey is IURRBKBDTNVSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H86O9S2Si3/c1-10-41-52(42-11-2,43-12-3)34-23-32-50-30-21-19-25-39-28-27-38(29-36-54(47-16-7,48-17-8)49-18-9)37-40(39)26-20-22-31-51-33-24-35-53(44-13-4,45-14-5)46-15-6/h38-40H,10-37H2,1-9H3.
What are the key properties of triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane?
triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane has a molecular weight of 859.51 g/mol, XLogP of 11.14, 39 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[4-[4-(2-triethoxysilylethyl)-2-[4-(3-triethoxysilylpropylsulfanyl)butyl]cyclohexyl]butylsulfanyl]propyl]silane is sourced from PubChem (CID 67244787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).