chloro-(3-chlorobutyl)-ethoxysilane

C6H14Cl2OSi — CID 123802041

IUPACchloro-(3-chlorobutyl)-ethoxysilane
SMILESCCO[SiH](Cl)CCC(C)Cl
InChIInChI=1S/C6H14Cl2OSi/c1-3-9-10(8)5-4-6(2)7/h6,10H,3-5H2,1-2H3
InChIKeyOAVASVPWDIPNHI-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.50
Rot. Bonds5

About chloro-(3-chlorobutyl)-ethoxysilane

chloro-(3-chlorobutyl)-ethoxysilane (PubChem CID 123802041) has the molecular formula C6H14Cl2OSi and a molecular weight of 201.17 g/mol. Its IUPAC name is chloro-(3-chlorobutyl)-ethoxysilane.

Molecular Properties

Compound Namechloro-(3-chlorobutyl)-ethoxysilane
PubChem CID123802041
Molecular FormulaC6H14Cl2OSi
Molecular Weight201.17 g/mol
Exact Mass200.02
IUPAC Namechloro-(3-chlorobutyl)-ethoxysilane
SMILESCCO[SiH](Cl)CCC(C)Cl
InChIInChI=1S/C6H14Cl2OSi/c1-3-9-10(8)5-4-6(2)7/h6,10H,3-5H2,1-2H3
InChIKeyOAVASVPWDIPNHI-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.50
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(3-chlorobutyl)-ethoxysilane?
The IUPAC name of chloro-(3-chlorobutyl)-ethoxysilane (CID 123802041) is chloro-(3-chlorobutyl)-ethoxysilane.
What is the SMILES notation for chloro-(3-chlorobutyl)-ethoxysilane?
The canonical SMILES for chloro-(3-chlorobutyl)-ethoxysilane is CCO[SiH](Cl)CCC(C)Cl.
What is the InChIKey of chloro-(3-chlorobutyl)-ethoxysilane?
The InChIKey is OAVASVPWDIPNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2OSi/c1-3-9-10(8)5-4-6(2)7/h6,10H,3-5H2,1-2H3.
What are the key properties of chloro-(3-chlorobutyl)-ethoxysilane?
chloro-(3-chlorobutyl)-ethoxysilane has a molecular weight of 201.17 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-chlorobutyl)-ethoxysilane is sourced from PubChem (CID 123802041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).