decyl-dimethyl-(trimethoxysilylmethyl)azanium

C16H38NO3Si+ — CID 71389761

IUPACdecyl-dimethyl-(trimethoxysilylmethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)C[Si](OC)(OC)OC
InChIInChI=1S/C16H38NO3Si/c1-7-8-9-10-11-12-13-14-15-17(2,3)16-21(18-4,19-5)20-6/h7-16H2,1-6H3/q+1
InChIKeyLKBMULLAPPMYNU-UHFFFAOYSA-N
MW320.57 g/mol
LogP3.62
Rot. Bonds14

About decyl-dimethyl-(trimethoxysilylmethyl)azanium

decyl-dimethyl-(trimethoxysilylmethyl)azanium (PubChem CID 71389761) has the molecular formula C16H38NO3Si+ and a molecular weight of 320.57 g/mol. Its IUPAC name is decyl-dimethyl-(trimethoxysilylmethyl)azanium.

Molecular Properties

Compound Namedecyl-dimethyl-(trimethoxysilylmethyl)azanium
PubChem CID71389761
Molecular FormulaC16H38NO3Si+
Molecular Weight320.57 g/mol
Exact Mass320.26
IUPAC Namedecyl-dimethyl-(trimethoxysilylmethyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)C[Si](OC)(OC)OC
InChIInChI=1S/C16H38NO3Si/c1-7-8-9-10-11-12-13-14-15-17(2,3)16-21(18-4,19-5)20-6/h7-16H2,1-6H3/q+1
InChIKeyLKBMULLAPPMYNU-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 53.62
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

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
hexyl-dimethyl-(tributoxysilylmethyl)azanium
CID 71389755
dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
CID 71389770
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-dimethyl-tetradecylazanium
CID 13075680
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
dodecyl-dimethyl-undecylazanium
CID 21491028

Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(trimethoxysilylmethyl)azanium?
The IUPAC name of decyl-dimethyl-(trimethoxysilylmethyl)azanium (CID 71389761) is decyl-dimethyl-(trimethoxysilylmethyl)azanium.
What is the SMILES notation for decyl-dimethyl-(trimethoxysilylmethyl)azanium?
The canonical SMILES for decyl-dimethyl-(trimethoxysilylmethyl)azanium is CCCCCCCCCC[N+](C)(C)C[Si](OC)(OC)OC.
What is the InChIKey of decyl-dimethyl-(trimethoxysilylmethyl)azanium?
The InChIKey is LKBMULLAPPMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38NO3Si/c1-7-8-9-10-11-12-13-14-15-17(2,3)16-21(18-4,19-5)20-6/h7-16H2,1-6H3/q+1.
What are the key properties of decyl-dimethyl-(trimethoxysilylmethyl)azanium?
decyl-dimethyl-(trimethoxysilylmethyl)azanium has a molecular weight of 320.57 g/mol, XLogP of 3.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(trimethoxysilylmethyl)azanium is sourced from PubChem (CID 71389761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).