trimethyl(3-triethoxysilylpropyl)azanium hydroxide

C12H31NO4Si — CID 87513866

IUPACtrimethyl(3-triethoxysilylpropyl)azanium hydroxide
SMILESCCO[Si](CCC[N+](C)(C)C)(OCC)OCC.[OH-]
InChIInChI=1S/C12H30NO3Si.H2O/c1-7-14-17(15-8-2,16-9-3)12-10-11-13(4,5)6;/h7-12H2,1-6H3;1H2/q+1;/p-1
InChIKeyYOOKMVMWIGOUFD-UHFFFAOYSA-M
MW281.47 g/mol
LogP1.95
Rot. Bonds10

About trimethyl(3-triethoxysilylpropyl)azanium hydroxide

trimethyl(3-triethoxysilylpropyl)azanium hydroxide (PubChem CID 87513866) has the molecular formula C12H31NO4Si and a molecular weight of 281.47 g/mol. Its IUPAC name is trimethyl(3-triethoxysilylpropyl)azanium hydroxide.

Molecular Properties

Compound Nametrimethyl(3-triethoxysilylpropyl)azanium hydroxide
PubChem CID87513866
Molecular FormulaC12H31NO4Si
Molecular Weight281.47 g/mol
Exact Mass281.20
IUPAC Nametrimethyl(3-triethoxysilylpropyl)azanium hydroxide
SMILESCCO[Si](CCC[N+](C)(C)C)(OCC)OCC.[OH-]
InChIInChI=1S/C12H30NO3Si.H2O/c1-7-14-17(15-8-2,16-9-3)12-10-11-13(4,5)6;/h7-12H2,1-6H3;1H2/q+1;/p-1
InChIKeyYOOKMVMWIGOUFD-UHFFFAOYSA-M
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 hydroxide?
The IUPAC name of trimethyl(3-triethoxysilylpropyl)azanium hydroxide (CID 87513866) is trimethyl(3-triethoxysilylpropyl)azanium hydroxide.
What is the SMILES notation for trimethyl(3-triethoxysilylpropyl)azanium hydroxide?
The canonical SMILES for trimethyl(3-triethoxysilylpropyl)azanium hydroxide is CCO[Si](CCC[N+](C)(C)C)(OCC)OCC.[OH-].
What is the InChIKey of trimethyl(3-triethoxysilylpropyl)azanium hydroxide?
The InChIKey is YOOKMVMWIGOUFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H30NO3Si.H2O/c1-7-14-17(15-8-2,16-9-3)12-10-11-13(4,5)6;/h7-12H2,1-6H3;1H2/q+1;/p-1.
What are the key properties of trimethyl(3-triethoxysilylpropyl)azanium hydroxide?
trimethyl(3-triethoxysilylpropyl)azanium hydroxide has a molecular weight of 281.47 g/mol, XLogP of 1.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-triethoxysilylpropyl)azanium hydroxide is sourced from PubChem (CID 87513866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).