tripentyl(triethoxysilyl)azanium

C21H48NO3Si+ — CID 67722445

IUPACtripentyl(triethoxysilyl)azanium
SMILESCCCCC[N+](CCCCC)(CCCCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H48NO3Si/c1-7-13-16-19-22(20-17-14-8-2,21-18-15-9-3)26(23-10-4,24-11-5)25-12-6/h7-21H2,1-6H3/q+1
InChIKeyJDNOJAVDNWGJKN-UHFFFAOYSA-N
MW390.71 g/mol
LogP5.92
Rot. Bonds19

About tripentyl(triethoxysilyl)azanium

tripentyl(triethoxysilyl)azanium (PubChem CID 67722445) has the molecular formula C21H48NO3Si+ and a molecular weight of 390.71 g/mol. Its IUPAC name is tripentyl(triethoxysilyl)azanium.

Molecular Properties

Compound Nametripentyl(triethoxysilyl)azanium
PubChem CID67722445
Molecular FormulaC21H48NO3Si+
Molecular Weight390.71 g/mol
Exact Mass390.34
IUPAC Nametripentyl(triethoxysilyl)azanium
SMILESCCCCC[N+](CCCCC)(CCCCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C21H48NO3Si/c1-7-13-16-19-22(20-17-14-8-2,21-18-15-9-3)26(23-10-4,24-11-5)25-12-6/h7-21H2,1-6H3/q+1
InChIKeyJDNOJAVDNWGJKN-UHFFFAOYSA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethylhexyl-dipentyl-triethoxysilylazanium chloride
CID 19963826
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
CID 164851776
diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
CID 158250093
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
CID 71389770
triethoxy(nonyl)silane;hydrofluoride
CID 161088856

Frequently Asked Questions

What is the IUPAC name of tripentyl(triethoxysilyl)azanium?
The IUPAC name of tripentyl(triethoxysilyl)azanium (CID 67722445) is tripentyl(triethoxysilyl)azanium.
What is the SMILES notation for tripentyl(triethoxysilyl)azanium?
The canonical SMILES for tripentyl(triethoxysilyl)azanium is CCCCC[N+](CCCCC)(CCCCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of tripentyl(triethoxysilyl)azanium?
The InChIKey is JDNOJAVDNWGJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48NO3Si/c1-7-13-16-19-22(20-17-14-8-2,21-18-15-9-3)26(23-10-4,24-11-5)25-12-6/h7-21H2,1-6H3/q+1.
What are the key properties of tripentyl(triethoxysilyl)azanium?
tripentyl(triethoxysilyl)azanium has a molecular weight of 390.71 g/mol, XLogP of 5.92, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripentyl(triethoxysilyl)azanium is sourced from PubChem (CID 67722445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).