4-chlorobutyl-diethyl-methoxysilane

C9H21ClOSi — CID 154288969

IUPAC4-chlorobutyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCCCCl)OC
InChIInChI=1S/C9H21ClOSi/c1-4-12(5-2,11-3)9-7-6-8-10/h4-9H2,1-3H3
InChIKeySPXSHKYLNNCKMK-UHFFFAOYSA-N
MW208.80 g/mol
LogP3.64
Rot. Bonds7

About 4-chlorobutyl-diethyl-methoxysilane

4-chlorobutyl-diethyl-methoxysilane (PubChem CID 154288969) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is 4-chlorobutyl-diethyl-methoxysilane.

Molecular Properties

Compound Name4-chlorobutyl-diethyl-methoxysilane
PubChem CID154288969
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Name4-chlorobutyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCCCCl)OC
InChIInChI=1S/C9H21ClOSi/c1-4-12(5-2,11-3)9-7-6-8-10/h4-9H2,1-3H3
InChIKeySPXSHKYLNNCKMK-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-chloropropyl-diethyl-methoxysilane
CID 54506163
diethyl-hexyl-methoxysilane
CID 59112330
3-chloropropyl-methoxy-dipropylsilane
CID 140744006
28-chlorooctacosyl(trimethoxy)silane
CID 87680981
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
N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
CID 90171944
CID 22948327
CID 22948327
4-chlorobutyl-ethyl-dipropoxysilane
CID 142729339
28-chlorooctacosyl(triethoxy)silane
CID 87685970
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutyl-diethyl-methoxysilane?
The IUPAC name of 4-chlorobutyl-diethyl-methoxysilane (CID 154288969) is 4-chlorobutyl-diethyl-methoxysilane.
What is the SMILES notation for 4-chlorobutyl-diethyl-methoxysilane?
The canonical SMILES for 4-chlorobutyl-diethyl-methoxysilane is CC[Si](CC)(CCCCCl)OC.
What is the InChIKey of 4-chlorobutyl-diethyl-methoxysilane?
The InChIKey is SPXSHKYLNNCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-4-12(5-2,11-3)9-7-6-8-10/h4-9H2,1-3H3.
What are the key properties of 4-chlorobutyl-diethyl-methoxysilane?
4-chlorobutyl-diethyl-methoxysilane has a molecular weight of 208.80 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl-diethyl-methoxysilane is sourced from PubChem (CID 154288969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).