3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide

C24H54BrNO2Si — CID 159975973

IUPAC3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCC(C)[SiH](OC)OC.[Br-]
InChIInChI=1S/C24H54NO2Si.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(3,4)23-21-24(2)28(26-5)27-6;/h24,28H,7-23H2,1-6H3;1H/q+1;/p-1
InChIKeyYGKZTADLUNQPAR-UHFFFAOYSA-M
MW496.69 g/mol
LogP3.84
Rot. Bonds21

About 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide

3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide (PubChem CID 159975973) has the molecular formula C24H54BrNO2Si and a molecular weight of 496.69 g/mol. Its IUPAC name is 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide.

Molecular Properties

Compound Name3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide
PubChem CID159975973
Molecular FormulaC24H54BrNO2Si
Molecular Weight496.69 g/mol
Exact Mass495.31
IUPAC Name3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCC(C)[SiH](OC)OC.[Br-]
InChIInChI=1S/C24H54NO2Si.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(3,4)23-21-24(2)28(26-5)27-6;/h24,28H,7-23H2,1-6H3;1H/q+1;/p-1
InChIKeyYGKZTADLUNQPAR-UHFFFAOYSA-M
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.69
LogP ≤ 53.84
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-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide 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

dimethoxy(tridecan-2-yl)silane
CID 174991319
icosyl-dimethyl-(3-methylbutyl)azanium
CID 158632854
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
docosyl-dimethyl-octylazanium bromide
CID 71367843
6-[dimethyl(octadecyl)azaniumyl]hexyl-hexyl-dimethylazanium dibromide
CID 175685910
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium dibromide
CID 154726412
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium dibromide
CID 12958279
dimethyl-bis(6-octylhexadecyl)azanium
CID 132523612
azanium;dimethyl-di(tetradecyl)azanium;dibromide
CID 172853989
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide?
The IUPAC name of 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide (CID 159975973) is 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide.
What is the SMILES notation for 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide?
The canonical SMILES for 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide is CCCCCCCCCCCCCCCC[N+](C)(C)CCC(C)[SiH](OC)OC.[Br-].
What is the InChIKey of 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide?
The InChIKey is YGKZTADLUNQPAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H54NO2Si.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(3,4)23-21-24(2)28(26-5)27-6;/h24,28H,7-23H2,1-6H3;1H/q+1;/p-1.
What are the key properties of 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide?
3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide has a molecular weight of 496.69 g/mol, XLogP of 3.84, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylbutyl-hexadecyl-dimethylazanium bromide is sourced from PubChem (CID 159975973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).