3-chloropropyl-diethyl-methoxysilane

C8H19ClOSi — CID 54506163

IUPAC3-chloropropyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCCCl)OC
InChIInChI=1S/C8H19ClOSi/c1-4-11(5-2,10-3)8-6-7-9/h4-8H2,1-3H3
InChIKeyYFWCTOVRAUWJCK-UHFFFAOYSA-N
MW194.78 g/mol
LogP3.25
Rot. Bonds6

About 3-chloropropyl-diethyl-methoxysilane

3-chloropropyl-diethyl-methoxysilane (PubChem CID 54506163) has the molecular formula C8H19ClOSi and a molecular weight of 194.78 g/mol. Its IUPAC name is 3-chloropropyl-diethyl-methoxysilane.

Molecular Properties

Compound Name3-chloropropyl-diethyl-methoxysilane
PubChem CID54506163
Molecular FormulaC8H19ClOSi
Molecular Weight194.78 g/mol
Exact Mass194.09
IUPAC Name3-chloropropyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCCCl)OC
InChIInChI=1S/C8H19ClOSi/c1-4-11(5-2,10-3)8-6-7-9/h4-8H2,1-3H3
InChIKeyYFWCTOVRAUWJCK-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.78
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-chlorobutyl-diethyl-methoxysilane
CID 154288969
3-chloropropyl-methoxy-dipropylsilane
CID 140744006
diethyl-hexyl-methoxysilane
CID 59112330
butoxy-(3-chloropropyl)-diethylsilane
CID 140743875
2-chloroethyl-methoxy-dipropylsilane
CID 171486072
N'-[3-[diethyl(methoxy)silyl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647262
chloromethoxy-(3-chloropropyl)-dimethoxysilane
CID 154396099
aziridine;3-chloropropyl(trimethoxy)silane
CID 121233192
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
butyl-methoxy-dipropylsilane
CID 22228688
28-chlorooctacosyl(trimethoxy)silane
CID 87680981
N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
CID 90171944

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-diethyl-methoxysilane?
The IUPAC name of 3-chloropropyl-diethyl-methoxysilane (CID 54506163) is 3-chloropropyl-diethyl-methoxysilane.
What is the SMILES notation for 3-chloropropyl-diethyl-methoxysilane?
The canonical SMILES for 3-chloropropyl-diethyl-methoxysilane is CC[Si](CC)(CCCCl)OC.
What is the InChIKey of 3-chloropropyl-diethyl-methoxysilane?
The InChIKey is YFWCTOVRAUWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClOSi/c1-4-11(5-2,10-3)8-6-7-9/h4-8H2,1-3H3.
What are the key properties of 3-chloropropyl-diethyl-methoxysilane?
3-chloropropyl-diethyl-methoxysilane has a molecular weight of 194.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-diethyl-methoxysilane is sourced from PubChem (CID 54506163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).