dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride

C65H142Cl2N2O6Si2 — CID 157331339

IUPACdodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride
SMILESCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCC)CCC[Si](OCCC)(OCCC)OCCC.CCCCCCCCCCCC[N+](C)(C)CCC[Si](OCCC)(OCCC)OCCC.[Cl-].[Cl-]
InChIInChI=1S/C39H84NO3Si.C26H58NO3Si.2ClH/c1-7-12-14-16-18-20-22-24-26-28-30-33-40(6,34-31-29-27-25-23-21-19-17-15-13-8-2)35-32-39-44(41-36-9-3,42-37-10-4)43-38-11-5;1-7-11-12-13-14-15-16-17-18-19-21-27(5,6)22-20-26-31(28-23-8-2,29-24-9-3)30-25-10-4;;/h7-39H2,1-6H3;7-26H2,1-6H3;2*1H/q2*+1;;/p-2
InChIKeyLXALARPZJVWUBG-UHFFFAOYSA-L
MW1174.94 g/mol
LogP14.26
Rot. Bonds61

About dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride

dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride (PubChem CID 157331339) has the molecular formula C65H142Cl2N2O6Si2 and a molecular weight of 1174.94 g/mol. Its IUPAC name is dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride.

Molecular Properties

Compound Namedodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride
PubChem CID157331339
Molecular FormulaC65H142Cl2N2O6Si2
Molecular Weight1174.94 g/mol
Exact Mass1172.98
IUPAC Namedodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride
SMILESCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCC)CCC[Si](OCCC)(OCCC)OCCC.CCCCCCCCCCCC[N+](C)(C)CCC[Si](OCCC)(OCCC)OCCC.[Cl-].[Cl-]
InChIInChI=1S/C39H84NO3Si.C26H58NO3Si.2ClH/c1-7-12-14-16-18-20-22-24-26-28-30-33-40(6,34-31-29-27-25-23-21-19-17-15-13-8-2)35-32-39-44(41-36-9-3,42-37-10-4)43-38-11-5;1-7-11-12-13-14-15-16-17-18-19-21-27(5,6)22-20-26-31(28-23-8-2,29-24-9-3)30-25-10-4;;/h7-39H2,1-6H3;7-26H2,1-6H3;2*1H/q2*+1;;/p-2
InChIKeyLXALARPZJVWUBG-UHFFFAOYSA-L
XLogP14.26
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds61
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.94
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
tributyl(3-tripropoxysilylpropyl)azanium chloride
CID 161047620
icosyl(tripropoxy)silane
CID 141079291
hexadecyl(tripropoxy)silane
CID 22228651
icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
dimethyl-pentadecyl-(6-trimethoxysilylhexyl)azanium chloride
CID 88730499
dimethyl-tetradecyl-(4-trimethoxysilylbutyl)azanium chloride
CID 88731013
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
decyl-dimethyl-nonylazanium chloride
CID 23185420
hexyl-icosyl-dimethylazanium chloride
CID 141083999

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride?
The IUPAC name of dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride (CID 157331339) is dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride.
What is the SMILES notation for dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride?
The canonical SMILES for dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride is CCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCC)CCC[Si](OCCC)(OCCC)OCCC.CCCCCCCCCCCC[N+](C)(C)CCC[Si](OCCC)(OCCC)OCCC.[Cl-].[Cl-].
What is the InChIKey of dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride?
The InChIKey is LXALARPZJVWUBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C39H84NO3Si.C26H58NO3Si.2ClH/c1-7-12-14-16-18-20-22-24-26-28-30-33-40(6,34-31-29-27-25-23-21-19-17-15-13-8-2)35-32-39-44(41-36-9-3,42-37-10-4)43-38-11-5;1-7-11-12-13-14-15-16-17-18-19-21-27(5,6)22-20-26-31(28-23-8-2,29-24-9-3)30-25-10-4;;/h7-39H2,1-6H3;7-26H2,1-6H3;2*1H/q2*+1;;/p-2.
What are the key properties of dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride?
dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride has a molecular weight of 1174.94 g/mol, XLogP of 14.26, 61 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride is sourced from PubChem (CID 157331339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).