dichloro-(2-chloroethyl)-phenylsilane

C8H9Cl3Si — CID 21404932

IUPACdichloro-(2-chloroethyl)-phenylsilane
SMILESClCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C8H9Cl3Si/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyOUVWXFZXWLWCTM-UHFFFAOYSA-N
MW239.60 g/mol
LogP3.05
Rot. Bonds3

About dichloro-(2-chloroethyl)-phenylsilane

dichloro-(2-chloroethyl)-phenylsilane (PubChem CID 21404932) has the molecular formula C8H9Cl3Si and a molecular weight of 239.60 g/mol. Its IUPAC name is dichloro-(2-chloroethyl)-phenylsilane.

Molecular Properties

Compound Namedichloro-(2-chloroethyl)-phenylsilane
PubChem CID21404932
Molecular FormulaC8H9Cl3Si
Molecular Weight239.60 g/mol
Exact Mass237.95
IUPAC Namedichloro-(2-chloroethyl)-phenylsilane
SMILESClCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C8H9Cl3Si/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyOUVWXFZXWLWCTM-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.60
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 dichloro-(2-chloroethyl)-phenylsilane?
The IUPAC name of dichloro-(2-chloroethyl)-phenylsilane (CID 21404932) is dichloro-(2-chloroethyl)-phenylsilane.
What is the SMILES notation for dichloro-(2-chloroethyl)-phenylsilane?
The canonical SMILES for dichloro-(2-chloroethyl)-phenylsilane is ClCC[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro-(2-chloroethyl)-phenylsilane?
The InChIKey is OUVWXFZXWLWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3Si/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of dichloro-(2-chloroethyl)-phenylsilane?
dichloro-(2-chloroethyl)-phenylsilane has a molecular weight of 239.60 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2-chloroethyl)-phenylsilane is sourced from PubChem (CID 21404932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).