triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane

C18H42O6SSi2 — CID 3045456

IUPACtriethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane
SMILESCCO[Si](CCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C18H42O6SSi2/c1-7-19-26(20-8-2,21-9-3)17-13-15-25-16-14-18-27(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
InChIKeyZRKGYQLXOAHRRN-UHFFFAOYSA-N
MW442.77 g/mol
LogP4.60
Rot. Bonds20

About triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane

triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane (PubChem CID 3045456) has the molecular formula C18H42O6SSi2 and a molecular weight of 442.77 g/mol. Its IUPAC name is triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane
PubChem CID3045456
Molecular FormulaC18H42O6SSi2
Molecular Weight442.77 g/mol
Exact Mass442.22
IUPAC Nametriethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane
SMILESCCO[Si](CCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C18H42O6SSi2/c1-7-19-26(20-8-2,21-9-3)17-13-15-25-16-14-18-27(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
InChIKeyZRKGYQLXOAHRRN-UHFFFAOYSA-N
XLogP4.60
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3-triethoxysilylpropylsulfanyl)propyl]silane?
The IUPAC name of triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane (CID 3045456) is triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane?
The canonical SMILES for triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane is CCO[Si](CCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane?
The InChIKey is ZRKGYQLXOAHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6SSi2/c1-7-19-26(20-8-2,21-9-3)17-13-15-25-16-14-18-27(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3.
What are the key properties of triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane?
triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane has a molecular weight of 442.77 g/mol, XLogP of 4.60, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane is sourced from PubChem (CID 3045456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).