trichloro(phenyl)silane;trimethoxy(phenyl)silane

C15H19Cl3O3Si2 — CID 160808399

IUPACtrichloro(phenyl)silane;trimethoxy(phenyl)silane
SMILESCO[Si](OC)(OC)c1ccccc1.Cl[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C9H14O3Si.C6H5Cl3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9;7-10(8,9)6-4-2-1-3-5-6/h4-8H,1-3H3;1-5H
InChIKeySDZNVTOAXKEOBQ-UHFFFAOYSA-N
MW409.85 g/mol
LogP3.32
Rot. Bonds5

About trichloro(phenyl)silane;trimethoxy(phenyl)silane

trichloro(phenyl)silane;trimethoxy(phenyl)silane (PubChem CID 160808399) has the molecular formula C15H19Cl3O3Si2 and a molecular weight of 409.85 g/mol. Its IUPAC name is trichloro(phenyl)silane;trimethoxy(phenyl)silane.

Molecular Properties

Compound Nametrichloro(phenyl)silane;trimethoxy(phenyl)silane
PubChem CID160808399
Molecular FormulaC15H19Cl3O3Si2
Molecular Weight409.85 g/mol
Exact Mass407.99
IUPAC Nametrichloro(phenyl)silane;trimethoxy(phenyl)silane
SMILESCO[Si](OC)(OC)c1ccccc1.Cl[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C9H14O3Si.C6H5Cl3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9;7-10(8,9)6-4-2-1-3-5-6/h4-8H,1-3H3;1-5H
InChIKeySDZNVTOAXKEOBQ-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 53.32
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(phenyl)silane;trimethoxy(phenyl)silane?
The IUPAC name of trichloro(phenyl)silane;trimethoxy(phenyl)silane (CID 160808399) is trichloro(phenyl)silane;trimethoxy(phenyl)silane.
What is the SMILES notation for trichloro(phenyl)silane;trimethoxy(phenyl)silane?
The canonical SMILES for trichloro(phenyl)silane;trimethoxy(phenyl)silane is CO[Si](OC)(OC)c1ccccc1.Cl[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of trichloro(phenyl)silane;trimethoxy(phenyl)silane?
The InChIKey is SDZNVTOAXKEOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3Si.C6H5Cl3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9;7-10(8,9)6-4-2-1-3-5-6/h4-8H,1-3H3;1-5H.
What are the key properties of trichloro(phenyl)silane;trimethoxy(phenyl)silane?
trichloro(phenyl)silane;trimethoxy(phenyl)silane has a molecular weight of 409.85 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(phenyl)silane;trimethoxy(phenyl)silane is sourced from PubChem (CID 160808399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).