chloro-(chloromethyl)-diethoxysilane

C5H12Cl2O2Si — CID 22227254

IUPACchloro-(chloromethyl)-diethoxysilane
SMILESCCO[Si](Cl)(CCl)OCC
InChIInChI=1S/C5H12Cl2O2Si/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChIKeyHPCGGUDXZDEQKG-UHFFFAOYSA-N
MW203.14 g/mol
LogP2.02
Rot. Bonds5

About chloro-(chloromethyl)-diethoxysilane

chloro-(chloromethyl)-diethoxysilane (PubChem CID 22227254) has the molecular formula C5H12Cl2O2Si and a molecular weight of 203.14 g/mol. Its IUPAC name is chloro-(chloromethyl)-diethoxysilane.

Molecular Properties

Compound Namechloro-(chloromethyl)-diethoxysilane
PubChem CID22227254
Molecular FormulaC5H12Cl2O2Si
Molecular Weight203.14 g/mol
Exact Mass202.00
IUPAC Namechloro-(chloromethyl)-diethoxysilane
SMILESCCO[Si](Cl)(CCl)OCC
InChIInChI=1S/C5H12Cl2O2Si/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChIKeyHPCGGUDXZDEQKG-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 52.02
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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Related Compounds

Silane, (chloromethyl)diethoxymethyl-
CID 16650
Silane, (chloromethyl)triethoxy-
CID 84858
Methyldiethoxychlorosilane
CID 12456270
(Dichloromethyl)(triethoxy)silane
CID 13237489
Methylchloromethylethoxychlorosilane
CID 13827878
Chloromethyldiethoxysilane
CID 14475751
Silane, butoxydichloro(chloromethyl)-
CID 12030849
Chloromethyl dipropoxychlorosilane
CID 129803734
Dichloro(chloromethyl)ethoxysilane
CID 22227200
Chloro-(2-chloroethyl)-diethoxysilane
CID 22227226
Chloromethyl-diethoxy-methoxysilane
CID 22227250
Chloromethyl-ethoxy-dimethoxysilane
CID 54371238

Frequently Asked Questions

What is the IUPAC name of chloro-(chloromethyl)-diethoxysilane?
The IUPAC name of chloro-(chloromethyl)-diethoxysilane (CID 22227254) is chloro-(chloromethyl)-diethoxysilane.
What is the SMILES notation for chloro-(chloromethyl)-diethoxysilane?
The canonical SMILES for chloro-(chloromethyl)-diethoxysilane is CCO[Si](Cl)(CCl)OCC.
What is the InChIKey of chloro-(chloromethyl)-diethoxysilane?
The InChIKey is HPCGGUDXZDEQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2O2Si/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3.
What are the key properties of chloro-(chloromethyl)-diethoxysilane?
chloro-(chloromethyl)-diethoxysilane has a molecular weight of 203.14 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(chloromethyl)-diethoxysilane is sourced from PubChem (CID 22227254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).