bromo-diethoxy-methoxysilane

C5H13BrO3Si — CID 141450184

IUPACbromo-diethoxy-methoxysilane
SMILESCCO[Si](Br)(OC)OCC
InChIInChI=1S/C5H13BrO3Si/c1-4-8-10(6,7-3)9-5-2/h4-5H2,1-3H3
InChIKeyZRLJIYPUQTYDRC-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.54
Rot. Bonds5

About bromo-diethoxy-methoxysilane

bromo-diethoxy-methoxysilane (PubChem CID 141450184) has the molecular formula C5H13BrO3Si and a molecular weight of 229.15 g/mol. Its IUPAC name is bromo-diethoxy-methoxysilane.

Molecular Properties

Compound Namebromo-diethoxy-methoxysilane
PubChem CID141450184
Molecular FormulaC5H13BrO3Si
Molecular Weight229.15 g/mol
Exact Mass227.98
IUPAC Namebromo-diethoxy-methoxysilane
SMILESCCO[Si](Br)(OC)OCC
InChIInChI=1S/C5H13BrO3Si/c1-4-8-10(6,7-3)9-5-2/h4-5H2,1-3H3
InChIKeyZRLJIYPUQTYDRC-UHFFFAOYSA-N
XLogP1.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 bromo-diethoxy-methoxysilane?
The IUPAC name of bromo-diethoxy-methoxysilane (CID 141450184) is bromo-diethoxy-methoxysilane.
What is the SMILES notation for bromo-diethoxy-methoxysilane?
The canonical SMILES for bromo-diethoxy-methoxysilane is CCO[Si](Br)(OC)OCC.
What is the InChIKey of bromo-diethoxy-methoxysilane?
The InChIKey is ZRLJIYPUQTYDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BrO3Si/c1-4-8-10(6,7-3)9-5-2/h4-5H2,1-3H3.
What are the key properties of bromo-diethoxy-methoxysilane?
bromo-diethoxy-methoxysilane has a molecular weight of 229.15 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-diethoxy-methoxysilane is sourced from PubChem (CID 141450184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).