trihexyl(3-trimethoxysilylpropyl)azanium

C24H54NO3Si+ — CID 20807122

IUPACtrihexyl(3-trimethoxysilylpropyl)azanium
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C24H54NO3Si/c1-7-10-13-16-20-25(21-17-14-11-8-2,22-18-15-12-9-3)23-19-24-29(26-4,27-5)28-6/h7-24H2,1-6H3/q+1
InChIKeyJZQVGQJZHFWHTF-UHFFFAOYSA-N
MW432.79 g/mol
LogP6.81
Rot. Bonds22

About trihexyl(3-trimethoxysilylpropyl)azanium

trihexyl(3-trimethoxysilylpropyl)azanium (PubChem CID 20807122) has the molecular formula C24H54NO3Si+ and a molecular weight of 432.79 g/mol. Its IUPAC name is trihexyl(3-trimethoxysilylpropyl)azanium.

Molecular Properties

Compound Nametrihexyl(3-trimethoxysilylpropyl)azanium
PubChem CID20807122
Molecular FormulaC24H54NO3Si+
Molecular Weight432.79 g/mol
Exact Mass432.39
IUPAC Nametrihexyl(3-trimethoxysilylpropyl)azanium
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C24H54NO3Si/c1-7-10-13-16-20-25(21-17-14-11-8-2,22-18-15-12-9-3)23-19-24-29(26-4,27-5)28-6/h7-24H2,1-6H3/q+1
InChIKeyJZQVGQJZHFWHTF-UHFFFAOYSA-N
XLogP6.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.81
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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Frequently Asked Questions

What is the IUPAC name of trihexyl(3-trimethoxysilylpropyl)azanium?
The IUPAC name of trihexyl(3-trimethoxysilylpropyl)azanium (CID 20807122) is trihexyl(3-trimethoxysilylpropyl)azanium.
What is the SMILES notation for trihexyl(3-trimethoxysilylpropyl)azanium?
The canonical SMILES for trihexyl(3-trimethoxysilylpropyl)azanium is CCCCCC[N+](CCCCCC)(CCCCCC)CCC[Si](OC)(OC)OC.
What is the InChIKey of trihexyl(3-trimethoxysilylpropyl)azanium?
The InChIKey is JZQVGQJZHFWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54NO3Si/c1-7-10-13-16-20-25(21-17-14-11-8-2,22-18-15-12-9-3)23-19-24-29(26-4,27-5)28-6/h7-24H2,1-6H3/q+1.
What are the key properties of trihexyl(3-trimethoxysilylpropyl)azanium?
trihexyl(3-trimethoxysilylpropyl)azanium has a molecular weight of 432.79 g/mol, XLogP of 6.81, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(3-trimethoxysilylpropyl)azanium is sourced from PubChem (CID 20807122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).