silicon(4+);tetrahexadecylazanium;tetrachloride

C64H140Cl4NSi+ — CID 21141680

IUPACsilicon(4+);tetrahexadecylazanium;tetrachloride
SMILESCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[SiH8+4]
InChIInChI=1S/C64H132N.4ClH.H8Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;;;;;/h5-64H2,1-4H3;4*1H;1H8/q+1;;;;;+4/p-4
InChIKeyGHRBNNMAEMZOKB-UHFFFAOYSA-J
MW1093.73 g/mol
LogP9.22
Rot. Bonds60

About silicon(4+);tetrahexadecylazanium;tetrachloride

silicon(4+);tetrahexadecylazanium;tetrachloride (PubChem CID 21141680) has the molecular formula C64H140Cl4NSi+ and a molecular weight of 1093.73 g/mol. Its IUPAC name is silicon(4+);tetrahexadecylazanium;tetrachloride.

Molecular Properties

Compound Namesilicon(4+);tetrahexadecylazanium;tetrachloride
PubChem CID21141680
Molecular FormulaC64H140Cl4NSi+
Molecular Weight1093.73 g/mol
Exact Mass1090.95
IUPAC Namesilicon(4+);tetrahexadecylazanium;tetrachloride
SMILESCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[SiH8+4]
InChIInChI=1S/C64H132N.4ClH.H8Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;;;;;/h5-64H2,1-4H3;4*1H;1H8/q+1;;;;;+4/p-4
InChIKeyGHRBNNMAEMZOKB-UHFFFAOYSA-J
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds60
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.73
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

diheptyl(dioctyl)azanium chloride
CID 87777237
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium dichloride
CID 11505983
tetradodecylazanium chloride
CID 14029864
tetra(undecyl)azanium chloride
CID 86229497
bis(tetrahexylazanium);chloride;hydroxide
CID 177250603
dibutyl(dihexadecyl)azanium chloride
CID 87778770
decyl-tri(undecyl)azanium
CID 87810629
trihexyl(nonyl)azanium
CID 87777679
tri(heptadecyl)-octylazanium
CID 87809516
dodecyl(triheptyl)azanium
CID 12049151
octadecyl-tri(undecyl)azanium
CID 87811974
octyl-tri(pentadecyl)azanium
CID 87809127

Frequently Asked Questions

What is the IUPAC name of silicon(4+);tetrahexadecylazanium;tetrachloride?
The IUPAC name of silicon(4+);tetrahexadecylazanium;tetrachloride (CID 21141680) is silicon(4+);tetrahexadecylazanium;tetrachloride.
What is the SMILES notation for silicon(4+);tetrahexadecylazanium;tetrachloride?
The canonical SMILES for silicon(4+);tetrahexadecylazanium;tetrachloride is CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[SiH8+4].
What is the InChIKey of silicon(4+);tetrahexadecylazanium;tetrachloride?
The InChIKey is GHRBNNMAEMZOKB-UHFFFAOYSA-J. The full InChI is InChI=1S/C64H132N.4ClH.H8Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;;;;;/h5-64H2,1-4H3;4*1H;1H8/q+1;;;;;+4/p-4.
What are the key properties of silicon(4+);tetrahexadecylazanium;tetrachloride?
silicon(4+);tetrahexadecylazanium;tetrachloride has a molecular weight of 1093.73 g/mol, XLogP of 9.22, 60 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for silicon(4+);tetrahexadecylazanium;tetrachloride is sourced from PubChem (CID 21141680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).