chloro-(2-chloroethyl)-diethoxysilane

C6H14Cl2O2Si — CID 22227226

IUPACchloro-(2-chloroethyl)-diethoxysilane
SMILESCCO[Si](Cl)(CCCl)OCC
InChIInChI=1S/C6H14Cl2O2Si/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
InChIKeyVZJDWMDFDWUIOH-UHFFFAOYSA-N
MW217.17 g/mol
LogP2.48
Rot. Bonds6

About chloro-(2-chloroethyl)-diethoxysilane

chloro-(2-chloroethyl)-diethoxysilane (PubChem CID 22227226) has the molecular formula C6H14Cl2O2Si and a molecular weight of 217.17 g/mol. Its IUPAC name is chloro-(2-chloroethyl)-diethoxysilane.

Molecular Properties

Compound Namechloro-(2-chloroethyl)-diethoxysilane
PubChem CID22227226
Molecular FormulaC6H14Cl2O2Si
Molecular Weight217.17 g/mol
Exact Mass216.01
IUPAC Namechloro-(2-chloroethyl)-diethoxysilane
SMILESCCO[Si](Cl)(CCCl)OCC
InChIInChI=1S/C6H14Cl2O2Si/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
InChIKeyVZJDWMDFDWUIOH-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 chloro-(2-chloroethyl)-diethoxysilane?
The IUPAC name of chloro-(2-chloroethyl)-diethoxysilane (CID 22227226) is chloro-(2-chloroethyl)-diethoxysilane.
What is the SMILES notation for chloro-(2-chloroethyl)-diethoxysilane?
The canonical SMILES for chloro-(2-chloroethyl)-diethoxysilane is CCO[Si](Cl)(CCCl)OCC.
What is the InChIKey of chloro-(2-chloroethyl)-diethoxysilane?
The InChIKey is VZJDWMDFDWUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O2Si/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3.
What are the key properties of chloro-(2-chloroethyl)-diethoxysilane?
chloro-(2-chloroethyl)-diethoxysilane has a molecular weight of 217.17 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-chloroethyl)-diethoxysilane is sourced from PubChem (CID 22227226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).