trihexyl(3-trimethoxysilylpropyl)azanium chloride

C24H54ClNO3Si — CID 86088905

IUPACtrihexyl(3-trimethoxysilylpropyl)azanium chloride
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C24H54NO3Si.ClH/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;1H/q+1;/p-1
InChIKeyDUAREXUBYDNSDE-UHFFFAOYSA-M
MW468.24 g/mol
LogP3.82
Rot. Bonds22

About trihexyl(3-trimethoxysilylpropyl)azanium chloride

trihexyl(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 86088905) has the molecular formula C24H54ClNO3Si and a molecular weight of 468.24 g/mol. Its IUPAC name is trihexyl(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Nametrihexyl(3-trimethoxysilylpropyl)azanium chloride
PubChem CID86088905
Molecular FormulaC24H54ClNO3Si
Molecular Weight468.24 g/mol
Exact Mass467.36
IUPAC Nametrihexyl(3-trimethoxysilylpropyl)azanium chloride
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C24H54NO3Si.ClH/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;1H/q+1;/p-1
InChIKeyDUAREXUBYDNSDE-UHFFFAOYSA-M
XLogP3.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.24
LogP ≤ 53.82
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 chloride?
The IUPAC name of trihexyl(3-trimethoxysilylpropyl)azanium chloride (CID 86088905) is trihexyl(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for trihexyl(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for trihexyl(3-trimethoxysilylpropyl)azanium chloride is CCCCCC[N+](CCCCCC)(CCCCCC)CCC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of trihexyl(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is DUAREXUBYDNSDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H54NO3Si.ClH/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;1H/q+1;/p-1.
What are the key properties of trihexyl(3-trimethoxysilylpropyl)azanium chloride?
trihexyl(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 468.24 g/mol, XLogP of 3.82, 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 chloride is sourced from PubChem (CID 86088905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).