chloro-(4-chlorobutoxy)-dimethoxysilane

C6H14Cl2O3Si — CID 141372343

IUPACchloro-(4-chlorobutoxy)-dimethoxysilane
SMILESCO[Si](Cl)(OC)OCCCCCl
InChIInChI=1S/C6H14Cl2O3Si/c1-9-12(8,10-2)11-6-4-3-5-7/h3-6H2,1-2H3
InChIKeySZSHEMNBNDOIIO-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.99
Rot. Bonds7

About chloro-(4-chlorobutoxy)-dimethoxysilane

chloro-(4-chlorobutoxy)-dimethoxysilane (PubChem CID 141372343) has the molecular formula C6H14Cl2O3Si and a molecular weight of 233.17 g/mol. Its IUPAC name is chloro-(4-chlorobutoxy)-dimethoxysilane.

Molecular Properties

Compound Namechloro-(4-chlorobutoxy)-dimethoxysilane
PubChem CID141372343
Molecular FormulaC6H14Cl2O3Si
Molecular Weight233.17 g/mol
Exact Mass232.01
IUPAC Namechloro-(4-chlorobutoxy)-dimethoxysilane
SMILESCO[Si](Cl)(OC)OCCCCCl
InChIInChI=1S/C6H14Cl2O3Si/c1-9-12(8,10-2)11-6-4-3-5-7/h3-6H2,1-2H3
InChIKeySZSHEMNBNDOIIO-UHFFFAOYSA-N
XLogP1.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(4-chlorobutoxy)-dimethoxysilane?
The IUPAC name of chloro-(4-chlorobutoxy)-dimethoxysilane (CID 141372343) is chloro-(4-chlorobutoxy)-dimethoxysilane.
What is the SMILES notation for chloro-(4-chlorobutoxy)-dimethoxysilane?
The canonical SMILES for chloro-(4-chlorobutoxy)-dimethoxysilane is CO[Si](Cl)(OC)OCCCCCl.
What is the InChIKey of chloro-(4-chlorobutoxy)-dimethoxysilane?
The InChIKey is SZSHEMNBNDOIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O3Si/c1-9-12(8,10-2)11-6-4-3-5-7/h3-6H2,1-2H3.
What are the key properties of chloro-(4-chlorobutoxy)-dimethoxysilane?
chloro-(4-chlorobutoxy)-dimethoxysilane has a molecular weight of 233.17 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chlorobutoxy)-dimethoxysilane is sourced from PubChem (CID 141372343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).