4-chlorobutoxy-hydroxy-dimethoxysilane

C6H15ClO4Si — CID 141019729

IUPAC4-chlorobutoxy-hydroxy-dimethoxysilane
SMILESCO[Si](O)(OC)OCCCCCl
InChIInChI=1S/C6H15ClO4Si/c1-9-12(8,10-2)11-6-4-3-5-7/h8H,3-6H2,1-2H3
InChIKeyPGMQWXYIAVAZAO-UHFFFAOYSA-N
MW214.72 g/mol
LogP0.74
Rot. Bonds7

About 4-chlorobutoxy-hydroxy-dimethoxysilane

4-chlorobutoxy-hydroxy-dimethoxysilane (PubChem CID 141019729) has the molecular formula C6H15ClO4Si and a molecular weight of 214.72 g/mol. Its IUPAC name is 4-chlorobutoxy-hydroxy-dimethoxysilane.

Molecular Properties

Compound Name4-chlorobutoxy-hydroxy-dimethoxysilane
PubChem CID141019729
Molecular FormulaC6H15ClO4Si
Molecular Weight214.72 g/mol
Exact Mass214.04
IUPAC Name4-chlorobutoxy-hydroxy-dimethoxysilane
SMILESCO[Si](O)(OC)OCCCCCl
InChIInChI=1S/C6H15ClO4Si/c1-9-12(8,10-2)11-6-4-3-5-7/h8H,3-6H2,1-2H3
InChIKeyPGMQWXYIAVAZAO-UHFFFAOYSA-N
XLogP0.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutoxy-hydroxy-dimethoxysilane?
The IUPAC name of 4-chlorobutoxy-hydroxy-dimethoxysilane (CID 141019729) is 4-chlorobutoxy-hydroxy-dimethoxysilane.
What is the SMILES notation for 4-chlorobutoxy-hydroxy-dimethoxysilane?
The canonical SMILES for 4-chlorobutoxy-hydroxy-dimethoxysilane is CO[Si](O)(OC)OCCCCCl.
What is the InChIKey of 4-chlorobutoxy-hydroxy-dimethoxysilane?
The InChIKey is PGMQWXYIAVAZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClO4Si/c1-9-12(8,10-2)11-6-4-3-5-7/h8H,3-6H2,1-2H3.
What are the key properties of 4-chlorobutoxy-hydroxy-dimethoxysilane?
4-chlorobutoxy-hydroxy-dimethoxysilane has a molecular weight of 214.72 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxy-hydroxy-dimethoxysilane is sourced from PubChem (CID 141019729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).