triethyl(3-triethoxysilylpropyl)azanium iodide

C15H36INO3Si — CID 139933517

IUPACtriethyl(3-triethoxysilylpropyl)azanium iodide
SMILESCCO[Si](CCC[N+](CC)(CC)CC)(OCC)OCC.[I-]
InChIInChI=1S/C15H36NO3Si.HI/c1-7-16(8-2,9-3)14-13-15-20(17-10-4,18-11-5)19-12-6;/h7-15H2,1-6H3;1H/q+1;/p-1
InChIKeyMCAJYHBJQZPDIM-UHFFFAOYSA-M
MW433.45 g/mol
LogP0.31
Rot. Bonds13

About triethyl(3-triethoxysilylpropyl)azanium iodide

triethyl(3-triethoxysilylpropyl)azanium iodide (PubChem CID 139933517) has the molecular formula C15H36INO3Si and a molecular weight of 433.45 g/mol. Its IUPAC name is triethyl(3-triethoxysilylpropyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(3-triethoxysilylpropyl)azanium iodide
PubChem CID139933517
Molecular FormulaC15H36INO3Si
Molecular Weight433.45 g/mol
Exact Mass433.15
IUPAC Nametriethyl(3-triethoxysilylpropyl)azanium iodide
SMILESCCO[Si](CCC[N+](CC)(CC)CC)(OCC)OCC.[I-]
InChIInChI=1S/C15H36NO3Si.HI/c1-7-16(8-2,9-3)14-13-15-20(17-10-4,18-11-5)19-12-6;/h7-15H2,1-6H3;1H/q+1;/p-1
InChIKeyMCAJYHBJQZPDIM-UHFFFAOYSA-M
XLogP0.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
CID 153332867
diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
CID 158250093
diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
CID 164851776
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium
CID 153332881
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301

Frequently Asked Questions

What is the IUPAC name of triethyl(3-triethoxysilylpropyl)azanium iodide?
The IUPAC name of triethyl(3-triethoxysilylpropyl)azanium iodide (CID 139933517) is triethyl(3-triethoxysilylpropyl)azanium iodide.
What is the SMILES notation for triethyl(3-triethoxysilylpropyl)azanium iodide?
The canonical SMILES for triethyl(3-triethoxysilylpropyl)azanium iodide is CCO[Si](CCC[N+](CC)(CC)CC)(OCC)OCC.[I-].
What is the InChIKey of triethyl(3-triethoxysilylpropyl)azanium iodide?
The InChIKey is MCAJYHBJQZPDIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H36NO3Si.HI/c1-7-16(8-2,9-3)14-13-15-20(17-10-4,18-11-5)19-12-6;/h7-15H2,1-6H3;1H/q+1;/p-1.
What are the key properties of triethyl(3-triethoxysilylpropyl)azanium iodide?
triethyl(3-triethoxysilylpropyl)azanium iodide has a molecular weight of 433.45 g/mol, XLogP of 0.31, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-triethoxysilylpropyl)azanium iodide is sourced from PubChem (CID 139933517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).