3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium

C26H58NO2Si+ — CID 54395286

IUPAC3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(OC)OC
InChIInChI=1S/C26H58NO2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-30(6,28-4)29-5/h7-26H2,1-6H3/q+1
InChIKeyVJMQYVFTPCROKL-UHFFFAOYSA-N
MW444.84 g/mol
LogP8.08
Rot. Bonds23

About 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium

3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium (PubChem CID 54395286) has the molecular formula C26H58NO2Si+ and a molecular weight of 444.84 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium
PubChem CID54395286
Molecular FormulaC26H58NO2Si+
Molecular Weight444.84 g/mol
Exact Mass444.42
IUPAC Name3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(OC)OC
InChIInChI=1S/C26H58NO2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-30(6,28-4)29-5/h7-26H2,1-6H3/q+1
InChIKeyVJMQYVFTPCROKL-UHFFFAOYSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium (CID 54395286) is 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
The InChIKey is VJMQYVFTPCROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58NO2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-30(6,28-4)29-5/h7-26H2,1-6H3/q+1.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium has a molecular weight of 444.84 g/mol, XLogP of 8.08, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl-dimethyl-octadecylazanium is sourced from PubChem (CID 54395286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).