dimethyl-octadecyl-trimethoxysilylazanium

C23H52NO3Si+ — CID 23159361

IUPACdimethyl-octadecyl-trimethoxysilylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)[Si](OC)(OC)OC
InChIInChI=1S/C23H52NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)28(25-4,26-5)27-6/h7-23H2,1-6H3/q+1
InChIKeyFFGREFBCZZEVDX-UHFFFAOYSA-N
MW418.76 g/mol
LogP6.70
Rot. Bonds21

About dimethyl-octadecyl-trimethoxysilylazanium

dimethyl-octadecyl-trimethoxysilylazanium (PubChem CID 23159361) has the molecular formula C23H52NO3Si+ and a molecular weight of 418.76 g/mol. Its IUPAC name is dimethyl-octadecyl-trimethoxysilylazanium.

Molecular Properties

Compound Namedimethyl-octadecyl-trimethoxysilylazanium
PubChem CID23159361
Molecular FormulaC23H52NO3Si+
Molecular Weight418.76 g/mol
Exact Mass418.37
IUPAC Namedimethyl-octadecyl-trimethoxysilylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)[Si](OC)(OC)OC
InChIInChI=1S/C23H52NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)28(25-4,26-5)27-6/h7-23H2,1-6H3/q+1
InChIKeyFFGREFBCZZEVDX-UHFFFAOYSA-N
XLogP6.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.76
LogP ≤ 56.70
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'}

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Related Compounds

decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
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
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-dimethyl-tetradecylazanium
CID 13075680
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptadecyl-dihexadecyl-methylazanium
CID 174998798

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-trimethoxysilylazanium?
The IUPAC name of dimethyl-octadecyl-trimethoxysilylazanium (CID 23159361) is dimethyl-octadecyl-trimethoxysilylazanium.
What is the SMILES notation for dimethyl-octadecyl-trimethoxysilylazanium?
The canonical SMILES for dimethyl-octadecyl-trimethoxysilylazanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)[Si](OC)(OC)OC.
What is the InChIKey of dimethyl-octadecyl-trimethoxysilylazanium?
The InChIKey is FFGREFBCZZEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)28(25-4,26-5)27-6/h7-23H2,1-6H3/q+1.
What are the key properties of dimethyl-octadecyl-trimethoxysilylazanium?
dimethyl-octadecyl-trimethoxysilylazanium has a molecular weight of 418.76 g/mol, XLogP of 6.70, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-trimethoxysilylazanium is sourced from PubChem (CID 23159361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).