3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride

C32H70ClNO2Si — CID 172782362

IUPAC3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCC[SiH](OC)OC.[Cl-]
InChIInChI=1S/C32H70NO2Si.ClH/c1-6-8-10-12-14-16-18-19-21-23-25-27-30-33(3,31-28-32-36(34-4)35-5)29-26-24-22-20-17-15-13-11-9-7-2;/h36H,6-32H2,1-5H3;1H/q+1;/p-1
InChIKeyOKUDLBBPTUPZLB-UHFFFAOYSA-M
MW564.46 g/mol
LogP6.96
Rot. Bonds30

About 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride

3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride (PubChem CID 172782362) has the molecular formula C32H70ClNO2Si and a molecular weight of 564.46 g/mol. Its IUPAC name is 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride.

Molecular Properties

Compound Name3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride
PubChem CID172782362
Molecular FormulaC32H70ClNO2Si
Molecular Weight564.46 g/mol
Exact Mass563.49
IUPAC Name3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCC[SiH](OC)OC.[Cl-]
InChIInChI=1S/C32H70NO2Si.ClH/c1-6-8-10-12-14-16-18-19-21-23-25-27-30-33(3,31-28-32-36(34-4)35-5)29-26-24-22-20-17-15-13-11-9-7-2;/h36H,6-32H2,1-5H3;1H/q+1;/p-1
InChIKeyOKUDLBBPTUPZLB-UHFFFAOYSA-M
XLogP6.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.46
LogP ≤ 56.96
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-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride 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

heptadecyl(dimethoxy)silane
CID 173012112
dimethoxy(nonyl)silane
CID 154057580
docosyl(dimethoxy)silane
CID 150688039
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491
dihexyl-methyl-pentylazanium
CID 23534989
heptadecyl-dihexadecyl-methylazanium
CID 174998798
decyl-heptyl-hexyl-methylazanium
CID 87904248
butyl-dodecyl-methyl-octylazanium
CID 71382086
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
azane;methyl-tri(tetradecyl)azanium
CID 172739350
methyl(trioctyl)azanium;hydrochloride
CID 174428259

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride?
The IUPAC name of 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride (CID 172782362) is 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride.
What is the SMILES notation for 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride?
The canonical SMILES for 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride is CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCC[SiH](OC)OC.[Cl-].
What is the InChIKey of 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride?
The InChIKey is OKUDLBBPTUPZLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H70NO2Si.ClH/c1-6-8-10-12-14-16-18-19-21-23-25-27-30-33(3,31-28-32-36(34-4)35-5)29-26-24-22-20-17-15-13-11-9-7-2;/h36H,6-32H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride?
3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride has a molecular weight of 564.46 g/mol, XLogP of 6.96, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylpropyl-dodecyl-methyl-tetradecylazanium chloride is sourced from PubChem (CID 172782362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).