trimethyl(3-triethoxysilylpropyl)azanium chloride

C12H30ClNO3Si — CID 23002981

IUPACtrimethyl(3-triethoxysilylpropyl)azanium chloride
SMILESCCO[Si](CCC[N+](C)(C)C)(OCC)OCC.[Cl-]
InChIInChI=1S/C12H30NO3Si.ClH/c1-7-14-17(15-8-2,16-9-3)12-10-11-13(4,5)6;/h7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyJMCRETWEZLOFQT-UHFFFAOYSA-M
MW299.91 g/mol
LogP-0.86
Rot. Bonds10

About trimethyl(3-triethoxysilylpropyl)azanium chloride

trimethyl(3-triethoxysilylpropyl)azanium chloride (PubChem CID 23002981) has the molecular formula C12H30ClNO3Si and a molecular weight of 299.91 g/mol. Its IUPAC name is trimethyl(3-triethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(3-triethoxysilylpropyl)azanium chloride
PubChem CID23002981
Molecular FormulaC12H30ClNO3Si
Molecular Weight299.91 g/mol
Exact Mass299.17
IUPAC Nametrimethyl(3-triethoxysilylpropyl)azanium chloride
SMILESCCO[Si](CCC[N+](C)(C)C)(OCC)OCC.[Cl-]
InChIInChI=1S/C12H30NO3Si.ClH/c1-7-14-17(15-8-2,16-9-3)12-10-11-13(4,5)6;/h7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyJMCRETWEZLOFQT-UHFFFAOYSA-M
XLogP-0.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.91
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-triethoxysilylpropyl)azanium chloride?
The IUPAC name of trimethyl(3-triethoxysilylpropyl)azanium chloride (CID 23002981) is trimethyl(3-triethoxysilylpropyl)azanium chloride.
What is the SMILES notation for trimethyl(3-triethoxysilylpropyl)azanium chloride?
The canonical SMILES for trimethyl(3-triethoxysilylpropyl)azanium chloride is CCO[Si](CCC[N+](C)(C)C)(OCC)OCC.[Cl-].
What is the InChIKey of trimethyl(3-triethoxysilylpropyl)azanium chloride?
The InChIKey is JMCRETWEZLOFQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H30NO3Si.ClH/c1-7-14-17(15-8-2,16-9-3)12-10-11-13(4,5)6;/h7-12H2,1-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl(3-triethoxysilylpropyl)azanium chloride?
trimethyl(3-triethoxysilylpropyl)azanium chloride has a molecular weight of 299.91 g/mol, XLogP of -0.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-triethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 23002981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).