chloromethyl(diethoxy)silane

C5H13ClO2Si — CID 123714296

IUPACchloromethyl(diethoxy)silane
SMILESCCO[SiH](CCl)OCC
InChIInChI=1S/C5H13ClO2Si/c1-3-7-9(5-6)8-4-2/h9H,3-5H2,1-2H3
InChIKeyJQIIWRICVUNPSC-UHFFFAOYSA-N
MW168.70 g/mol
LogP1.06
Rot. Bonds5

About chloromethyl(diethoxy)silane

chloromethyl(diethoxy)silane (PubChem CID 123714296) has the molecular formula C5H13ClO2Si and a molecular weight of 168.70 g/mol. Its IUPAC name is chloromethyl(diethoxy)silane.

Molecular Properties

Compound Namechloromethyl(diethoxy)silane
PubChem CID123714296
Molecular FormulaC5H13ClO2Si
Molecular Weight168.70 g/mol
Exact Mass168.04
IUPAC Namechloromethyl(diethoxy)silane
SMILESCCO[SiH](CCl)OCC
InChIInChI=1S/C5H13ClO2Si/c1-3-7-9(5-6)8-4-2/h9H,3-5H2,1-2H3
InChIKeyJQIIWRICVUNPSC-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.70
LogP ≤ 51.06
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
Chloromethyldiethoxysilane
CID 14475751
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

Frequently Asked Questions

What is the IUPAC name of chloromethyl(diethoxy)silane?
The IUPAC name of chloromethyl(diethoxy)silane (CID 123714296) is chloromethyl(diethoxy)silane.
What is the SMILES notation for chloromethyl(diethoxy)silane?
The canonical SMILES for chloromethyl(diethoxy)silane is CCO[SiH](CCl)OCC.
What is the InChIKey of chloromethyl(diethoxy)silane?
The InChIKey is JQIIWRICVUNPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO2Si/c1-3-7-9(5-6)8-4-2/h9H,3-5H2,1-2H3.
What are the key properties of chloromethyl(diethoxy)silane?
chloromethyl(diethoxy)silane has a molecular weight of 168.70 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(diethoxy)silane is sourced from PubChem (CID 123714296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).