Chloromethyldiethoxysilane

C5H12ClO2Si — CID 14475751

IUPAC—
SMILESCCO[Si](CCl)OCC
InChIInChI=1S/C5H12ClO2Si/c1-3-7-9(5-6)8-4-2/h3-5H2,1-2H3
InChIKeyGFJUFGROPJNOSP-UHFFFAOYSA-N
MW167.69 g/mol
LogP1.33
Rot. Bonds5

About Chloromethyldiethoxysilane

Chloromethyldiethoxysilane (PubChem CID 14475751) has the molecular formula C5H12ClO2Si and a molecular weight of 167.69 g/mol.

Molecular Properties

Compound NameChloromethyldiethoxysilane
PubChem CID14475751
Molecular FormulaC5H12ClO2Si
Molecular Weight167.69 g/mol
Exact Mass167.03
IUPAC Name—
SMILESCCO[Si](CCl)OCC
InChIInChI=1S/C5H12ClO2Si/c1-3-7-9(5-6)8-4-2/h3-5H2,1-2H3
InChIKeyGFJUFGROPJNOSP-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.69
LogP ≤ 51.33
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'}

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Related Compounds

(Chloromethyl)ethoxydimethylsilane
CID 26073
Silane, (chloromethyl)diethoxymethyl-
CID 16650
Methyldiethoxysilane
CID 74848
Silane, (chloromethyl)triethoxy-
CID 84858
Chloro(chloromethyl)diethoxysilane
CID 22227254
Ethoxy-methoxy-methylsilane
CID 542387
a-Chloromethylmethylethoxysilane
CID 129803964
Chloromethyl-diethoxy-methoxysilane
CID 22227250
Chloromethyl-ethoxy-dimethoxysilane
CID 54371238
CID 57148132
CID 57148132
Bis(chloromethyl)-diethoxysilane
CID 85818688
Chloromethyl-diethoxy-hydroxysilane
CID 89564264

Frequently Asked Questions

What is the IUPAC name of Chloromethyldiethoxysilane?
The IUPAC name of Chloromethyldiethoxysilane (CID 14475751) is not available.
What is the SMILES notation for Chloromethyldiethoxysilane?
The canonical SMILES for Chloromethyldiethoxysilane is CCO[Si](CCl)OCC.
What is the InChIKey of Chloromethyldiethoxysilane?
The InChIKey is GFJUFGROPJNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2Si/c1-3-7-9(5-6)8-4-2/h3-5H2,1-2H3.
What are the key properties of Chloromethyldiethoxysilane?
Chloromethyldiethoxysilane has a molecular weight of 167.69 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Chloromethyldiethoxysilane is sourced from PubChem (CID 14475751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).