ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride

C25H56ClNO3Si — CID 141071591

IUPACethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(CC)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C25H56NO3Si.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(3,8-2)24-22-25-30(27-4,28-5)29-6;/h7-25H2,1-6H3;1H/q+1;/p-1
InChIKeyGHGKHBOVGAODIN-UHFFFAOYSA-M
MW482.27 g/mol
LogP4.21
Rot. Bonds23

About ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride

ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 141071591) has the molecular formula C25H56ClNO3Si and a molecular weight of 482.27 g/mol. Its IUPAC name is ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Nameethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
PubChem CID141071591
Molecular FormulaC25H56ClNO3Si
Molecular Weight482.27 g/mol
Exact Mass481.37
IUPAC Nameethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
SMILESCCCCCCCCCCCCCCCC[N+](C)(CC)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C25H56NO3Si.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(3,8-2)24-22-25-30(27-4,28-5)29-6;/h7-25H2,1-6H3;1H/q+1;/p-1
InChIKeyGHGKHBOVGAODIN-UHFFFAOYSA-M
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 54.21
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

trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
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-di(undecyl)azanium
CID 156729684
docosyl-diethyl-methylazanium chloride
CID 87975854
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
butyl-ethyl-methyl-pentylazanium
CID 87508333

Frequently Asked Questions

What is the IUPAC name of ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride?
The IUPAC name of ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride (CID 141071591) is ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride is CCCCCCCCCCCCCCCC[N+](C)(CC)CCC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is GHGKHBOVGAODIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H56NO3Si.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(3,8-2)24-22-25-30(27-4,28-5)29-6;/h7-25H2,1-6H3;1H/q+1;/p-1.
What are the key properties of ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride?
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 482.27 g/mol, XLogP of 4.21, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 141071591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).