icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide

C31H68INO3Si — CID 164521068

IUPACicosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC.[I-]
InChIInChI=1S/C31H68NO3Si.HI/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-32(5,6)30-28-31-36(33-8-2,34-9-3)35-10-4;/h7-31H2,1-6H3;1H/q+1;/p-1
InChIKeyGBXKGBZMDRQPBY-UHFFFAOYSA-M
MW657.88 g/mol
LogP6.55
Rot. Bonds29

About icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide

icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide (PubChem CID 164521068) has the molecular formula C31H68INO3Si and a molecular weight of 657.88 g/mol. Its IUPAC name is icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide.

Molecular Properties

Compound Nameicosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
PubChem CID164521068
Molecular FormulaC31H68INO3Si
Molecular Weight657.88 g/mol
Exact Mass657.40
IUPAC Nameicosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC.[I-]
InChIInChI=1S/C31H68NO3Si.HI/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-32(5,6)30-28-31-36(33-8-2,34-9-3)35-10-4;/h7-31H2,1-6H3;1H/q+1;/p-1
InChIKeyGBXKGBZMDRQPBY-UHFFFAOYSA-M
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.88
LogP ≤ 56.55
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

icosyl-dimethyl-(3-trimethoxysilylpropyl)azanium iodide
CID 164521067
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162
diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
CID 158250093
dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride
CID 157331339
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(henicosyl)silane
CID 141362894
dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
CID 71389770
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(nonyl)silane;hydrofluoride
CID 161088856

Frequently Asked Questions

What is the IUPAC name of icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide?
The IUPAC name of icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide (CID 164521068) is icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide.
What is the SMILES notation for icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide?
The canonical SMILES for icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide is CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC.[I-].
What is the InChIKey of icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide?
The InChIKey is GBXKGBZMDRQPBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H68NO3Si.HI/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-32(5,6)30-28-31-36(33-8-2,34-9-3)35-10-4;/h7-31H2,1-6H3;1H/q+1;/p-1.
What are the key properties of icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide?
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide has a molecular weight of 657.88 g/mol, XLogP of 6.55, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide is sourced from PubChem (CID 164521068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).