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

C24H54NO2Si+ — CID 59114964

IUPAC3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(O)O
InChIInChI=1S/C24H54NO2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24-28(4,26)27/h26-27H,5-24H2,1-4H3/q+1
InChIKeySMVFSASKTNOYNU-UHFFFAOYSA-N
MW416.79 g/mol
LogP6.77
Rot. Bonds21

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

3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium (PubChem CID 59114964) has the molecular formula C24H54NO2Si+ and a molecular weight of 416.79 g/mol. Its IUPAC name is 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium.

Molecular Properties

Compound Name3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium
PubChem CID59114964
Molecular FormulaC24H54NO2Si+
Molecular Weight416.79 g/mol
Exact Mass416.39
IUPAC Name3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(O)O
InChIInChI=1S/C24H54NO2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24-28(4,26)27/h26-27H,5-24H2,1-4H3/q+1
InChIKeySMVFSASKTNOYNU-UHFFFAOYSA-N
XLogP6.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.79
LogP ≤ 56.77
H-Bond Donors ≤ 52
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-[dihydroxy(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

Related Compounds

decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride
CID 158874398
hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium
CID 89284356
dihydroxy-methyl-tetradecylsilane
CID 165358928
decyl-dimethyl-tetradecylazanium
CID 13075680
dodecyl-dimethyl-undecylazanium
CID 21491028
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315

Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
The IUPAC name of 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium (CID 59114964) is 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium.
What is the SMILES notation for 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
The canonical SMILES for 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(O)O.
What is the InChIKey of 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
The InChIKey is SMVFSASKTNOYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54NO2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24-28(4,26)27/h26-27H,5-24H2,1-4H3/q+1.
What are the key properties of 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium?
3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium has a molecular weight of 416.79 g/mol, XLogP of 6.77, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium is sourced from PubChem (CID 59114964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).