trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane

C18H20Cl6O2SSi2 — CID 139776557

IUPACtrichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane
SMILESCl[Si](Cl)(Cl)CCCOc1ccc(Sc2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C18H20Cl6O2SSi2/c19-28(20,21)13-1-11-25-15-3-7-17(8-4-15)27-18-9-5-16(6-10-18)26-12-2-14-29(22,23)24/h3-10H,1-2,11-14H2
InChIKeyVLQJHFVGWCBKNX-UHFFFAOYSA-N
MW569.31 g/mol
LogP8.69
Rot. Bonds12

About trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane

trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane (PubChem CID 139776557) has the molecular formula C18H20Cl6O2SSi2 and a molecular weight of 569.31 g/mol. Its IUPAC name is trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane
PubChem CID139776557
Molecular FormulaC18H20Cl6O2SSi2
Molecular Weight569.31 g/mol
Exact Mass565.89
IUPAC Nametrichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane
SMILESCl[Si](Cl)(Cl)CCCOc1ccc(Sc2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C18H20Cl6O2SSi2/c19-28(20,21)13-1-11-25-15-3-7-17(8-4-15)27-18-9-5-16(6-10-18)26-12-2-14-29(22,23)24/h3-10H,1-2,11-14H2
InChIKeyVLQJHFVGWCBKNX-UHFFFAOYSA-N
XLogP8.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.31
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane?
The IUPAC name of trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane (CID 139776557) is trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane.
What is the SMILES notation for trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane?
The canonical SMILES for trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane is Cl[Si](Cl)(Cl)CCCOc1ccc(Sc2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)cc1.
What is the InChIKey of trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane?
The InChIKey is VLQJHFVGWCBKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl6O2SSi2/c19-28(20,21)13-1-11-25-15-3-7-17(8-4-15)27-18-9-5-16(6-10-18)26-12-2-14-29(22,23)24/h3-10H,1-2,11-14H2.
What are the key properties of trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane?
trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane has a molecular weight of 569.31 g/mol, XLogP of 8.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane is sourced from PubChem (CID 139776557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).