dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride

C26H58FNO3Si — CID 141427162

IUPACdimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[F-]
InChIInChI=1S/C26H58NO3Si.FH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1
InChIKeyRBGFQBHVVGSCHY-UHFFFAOYSA-M
MW479.84 g/mol
LogP4.60
Rot. Bonds24

About dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride

dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride (PubChem CID 141427162) has the molecular formula C26H58FNO3Si and a molecular weight of 479.84 g/mol. Its IUPAC name is dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride.

Molecular Properties

Compound Namedimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
PubChem CID141427162
Molecular FormulaC26H58FNO3Si
Molecular Weight479.84 g/mol
Exact Mass479.42
IUPAC Namedimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[F-]
InChIInChI=1S/C26H58NO3Si.FH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1
InChIKeyRBGFQBHVVGSCHY-UHFFFAOYSA-M
XLogP4.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.84
LogP ≤ 54.60
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
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
dimethyl-[(Z)-tetradec-9-enyl]-(3-trimethoxysilylpropyl)azanium
CID 161020572
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(pentacontyl)silane
CID 87930715

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride?
The IUPAC name of dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride (CID 141427162) is dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride.
What is the SMILES notation for dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride?
The canonical SMILES for dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[F-].
What is the InChIKey of dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride?
The InChIKey is RBGFQBHVVGSCHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H58NO3Si.FH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride?
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride has a molecular weight of 479.84 g/mol, XLogP of 4.60, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride is sourced from PubChem (CID 141427162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).