diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride

C21H48ClNO3Si — CID 158250093

IUPACdiethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
SMILESCCCCCCCC[N+](CC)(CC)CCC[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C21H48NO3Si.ClH/c1-7-13-14-15-16-17-19-22(8-2,9-3)20-18-21-26(23-10-4,24-11-5)25-12-6;/h7-21H2,1-6H3;1H/q+1;/p-1
InChIKeyAPRNLLUKMYPTEP-UHFFFAOYSA-M
MW426.16 g/mol
LogP2.65
Rot. Bonds19

About diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride

diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride (PubChem CID 158250093) has the molecular formula C21H48ClNO3Si and a molecular weight of 426.16 g/mol. Its IUPAC name is diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namediethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
PubChem CID158250093
Molecular FormulaC21H48ClNO3Si
Molecular Weight426.16 g/mol
Exact Mass425.31
IUPAC Namediethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
SMILESCCCCCCCC[N+](CC)(CC)CCC[Si](OCC)(OCC)OCC.[Cl-]
InChIInChI=1S/C21H48NO3Si.ClH/c1-7-13-14-15-16-17-19-22(8-2,9-3)20-18-21-26(23-10-4,24-11-5)25-12-6;/h7-21H2,1-6H3;1H/q+1;/p-1
InChIKeyAPRNLLUKMYPTEP-UHFFFAOYSA-M
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.16
LogP ≤ 52.65
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

diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
CID 164851776
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
triethyl(3-triethoxysilylpropyl)azanium iodide
CID 139933517
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
CID 153332867
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
tributyl(3-tripropoxysilylpropyl)azanium chloride
CID 161047620

Frequently Asked Questions

What is the IUPAC name of diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride?
The IUPAC name of diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride (CID 158250093) is diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride.
What is the SMILES notation for diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride?
The canonical SMILES for diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride is CCCCCCCC[N+](CC)(CC)CCC[Si](OCC)(OCC)OCC.[Cl-].
What is the InChIKey of diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride?
The InChIKey is APRNLLUKMYPTEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H48NO3Si.ClH/c1-7-13-14-15-16-17-19-22(8-2,9-3)20-18-21-26(23-10-4,24-11-5)25-12-6;/h7-21H2,1-6H3;1H/q+1;/p-1.
What are the key properties of diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride?
diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride has a molecular weight of 426.16 g/mol, XLogP of 2.65, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 158250093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).