trihexyl(1-triethoxysilylpropyl)azanium

C27H60NO3Si+ — CID 57211677

IUPACtrihexyl(1-triethoxysilylpropyl)azanium
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H60NO3Si/c1-8-15-18-21-24-28(25-22-19-16-9-2,26-23-20-17-10-3)27(11-4)32(29-12-5,30-13-6)31-14-7/h27H,8-26H2,1-7H3/q+1
InChIKeyXTUWLZOYUXZXIM-UHFFFAOYSA-N
MW474.87 g/mol
LogP7.91
Rot. Bonds24

About trihexyl(1-triethoxysilylpropyl)azanium

trihexyl(1-triethoxysilylpropyl)azanium (PubChem CID 57211677) has the molecular formula C27H60NO3Si+ and a molecular weight of 474.87 g/mol. Its IUPAC name is trihexyl(1-triethoxysilylpropyl)azanium.

Molecular Properties

Compound Nametrihexyl(1-triethoxysilylpropyl)azanium
PubChem CID57211677
Molecular FormulaC27H60NO3Si+
Molecular Weight474.87 g/mol
Exact Mass474.43
IUPAC Nametrihexyl(1-triethoxysilylpropyl)azanium
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H60NO3Si/c1-8-15-18-21-24-28(25-22-19-16-9-2,26-23-20-17-10-3)27(11-4)32(29-12-5,30-13-6)31-14-7/h27H,8-26H2,1-7H3/q+1
InChIKeyXTUWLZOYUXZXIM-UHFFFAOYSA-N
XLogP7.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.87
LogP ≤ 57.91
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide
CID 175037692
tripropyl(1-trimethoxysilylpropyl)azanium hydroxide
CID 87513848
tripentyl(triethoxysilyl)azanium
CID 67722445
N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173045206
hexadecyl-bis(2-hydroxyethyl)-propan-2-ylazanium iodide
CID 87090557
1-triethoxysilyldecan-1-amine
CID 87463354
octadecyl(1-triethoxysilylpropyl)azanium chloride
CID 141004157
dimethyl-octadecyl-(1-trimethylsilylpropyl)azanium chloride
CID 175158999
tris-decyl(dodecan-3-yl)azanium
CID 157450387
dibutyl-octadecyl-tetradecan-5-ylazanium
CID 87948519
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992
dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
CID 71389770

Frequently Asked Questions

What is the IUPAC name of trihexyl(1-triethoxysilylpropyl)azanium?
The IUPAC name of trihexyl(1-triethoxysilylpropyl)azanium (CID 57211677) is trihexyl(1-triethoxysilylpropyl)azanium.
What is the SMILES notation for trihexyl(1-triethoxysilylpropyl)azanium?
The canonical SMILES for trihexyl(1-triethoxysilylpropyl)azanium is CCCCCC[N+](CCCCCC)(CCCCCC)C(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of trihexyl(1-triethoxysilylpropyl)azanium?
The InChIKey is XTUWLZOYUXZXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H60NO3Si/c1-8-15-18-21-24-28(25-22-19-16-9-2,26-23-20-17-10-3)27(11-4)32(29-12-5,30-13-6)31-14-7/h27H,8-26H2,1-7H3/q+1.
What are the key properties of trihexyl(1-triethoxysilylpropyl)azanium?
trihexyl(1-triethoxysilylpropyl)azanium has a molecular weight of 474.87 g/mol, XLogP of 7.91, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(1-triethoxysilylpropyl)azanium is sourced from PubChem (CID 57211677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).