4-chlorobutoxy(dimethoxy)silane

C6H15ClO3Si — CID 154506663

IUPAC4-chlorobutoxy(dimethoxy)silane
SMILESCO[SiH](OC)OCCCCCl
InChIInChI=1S/C6H15ClO3Si/c1-8-11(9-2)10-6-4-3-5-7/h11H,3-6H2,1-2H3
InChIKeyVEPXTGVMNUKJMX-UHFFFAOYSA-N
MW198.72 g/mol
LogP1.03
Rot. Bonds7

About 4-chlorobutoxy(dimethoxy)silane

4-chlorobutoxy(dimethoxy)silane (PubChem CID 154506663) has the molecular formula C6H15ClO3Si and a molecular weight of 198.72 g/mol. Its IUPAC name is 4-chlorobutoxy(dimethoxy)silane.

Molecular Properties

Compound Name4-chlorobutoxy(dimethoxy)silane
PubChem CID154506663
Molecular FormulaC6H15ClO3Si
Molecular Weight198.72 g/mol
Exact Mass198.05
IUPAC Name4-chlorobutoxy(dimethoxy)silane
SMILESCO[SiH](OC)OCCCCCl
InChIInChI=1S/C6H15ClO3Si/c1-8-11(9-2)10-6-4-3-5-7/h11H,3-6H2,1-2H3
InChIKeyVEPXTGVMNUKJMX-UHFFFAOYSA-N
XLogP1.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 51.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutoxy(dimethoxy)silane?
The IUPAC name of 4-chlorobutoxy(dimethoxy)silane (CID 154506663) is 4-chlorobutoxy(dimethoxy)silane.
What is the SMILES notation for 4-chlorobutoxy(dimethoxy)silane?
The canonical SMILES for 4-chlorobutoxy(dimethoxy)silane is CO[SiH](OC)OCCCCCl.
What is the InChIKey of 4-chlorobutoxy(dimethoxy)silane?
The InChIKey is VEPXTGVMNUKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClO3Si/c1-8-11(9-2)10-6-4-3-5-7/h11H,3-6H2,1-2H3.
What are the key properties of 4-chlorobutoxy(dimethoxy)silane?
4-chlorobutoxy(dimethoxy)silane has a molecular weight of 198.72 g/mol, XLogP of 1.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxy(dimethoxy)silane is sourced from PubChem (CID 154506663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).