trichloro-(4-trimethoxysilylphenyl)silane

C9H13Cl3O3Si2 — CID 59207169

IUPACtrichloro-(4-trimethoxysilylphenyl)silane
SMILESCO[Si](OC)(OC)c1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C9H13Cl3O3Si2/c1-13-17(14-2,15-3)9-6-4-8(5-7-9)16(10,11)12/h4-7H,1-3H3
InChIKeyYLJIAIQSAYPAQV-UHFFFAOYSA-N
MW331.73 g/mol
LogP1.63
Rot. Bonds5

About trichloro-(4-trimethoxysilylphenyl)silane

trichloro-(4-trimethoxysilylphenyl)silane (PubChem CID 59207169) has the molecular formula C9H13Cl3O3Si2 and a molecular weight of 331.73 g/mol. Its IUPAC name is trichloro-(4-trimethoxysilylphenyl)silane.

Molecular Properties

Compound Nametrichloro-(4-trimethoxysilylphenyl)silane
PubChem CID59207169
Molecular FormulaC9H13Cl3O3Si2
Molecular Weight331.73 g/mol
Exact Mass329.95
IUPAC Nametrichloro-(4-trimethoxysilylphenyl)silane
SMILESCO[Si](OC)(OC)c1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C9H13Cl3O3Si2/c1-13-17(14-2,15-3)9-6-4-8(5-7-9)16(10,11)12/h4-7H,1-3H3
InChIKeyYLJIAIQSAYPAQV-UHFFFAOYSA-N
XLogP1.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-trimethoxysilylphenyl)silane?
The IUPAC name of trichloro-(4-trimethoxysilylphenyl)silane (CID 59207169) is trichloro-(4-trimethoxysilylphenyl)silane.
What is the SMILES notation for trichloro-(4-trimethoxysilylphenyl)silane?
The canonical SMILES for trichloro-(4-trimethoxysilylphenyl)silane is CO[Si](OC)(OC)c1ccc([Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of trichloro-(4-trimethoxysilylphenyl)silane?
The InChIKey is YLJIAIQSAYPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl3O3Si2/c1-13-17(14-2,15-3)9-6-4-8(5-7-9)16(10,11)12/h4-7H,1-3H3.
What are the key properties of trichloro-(4-trimethoxysilylphenyl)silane?
trichloro-(4-trimethoxysilylphenyl)silane has a molecular weight of 331.73 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(4-trimethoxysilylphenyl)silane is sourced from PubChem (CID 59207169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).