hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium

C24H54NSi+ — CID 89284356

IUPAChexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(C)C
InChIInChI=1S/C24H54NSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24-26(4,5)6/h7-24H2,1-6H3/q+1
InChIKeyOOLBCTIFSINBMB-UHFFFAOYSA-N
MW384.79 g/mol
LogP8.27
Rot. Bonds19

About hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium

hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium (PubChem CID 89284356) has the molecular formula C24H54NSi+ and a molecular weight of 384.79 g/mol. Its IUPAC name is hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium.

Molecular Properties

Compound Namehexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium
PubChem CID89284356
Molecular FormulaC24H54NSi+
Molecular Weight384.79 g/mol
Exact Mass384.40
IUPAC Namehexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(C)C
InChIInChI=1S/C24H54NSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24-26(4,5)6/h7-24H2,1-6H3/q+1
InChIKeyOOLBCTIFSINBMB-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.79
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Related Compounds

3-[dihydroxy(methyl)silyl]propyl-dimethyl-octadecylazanium
CID 59114964
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870
hexatriacontyl-hexyl-dimethylazanium
CID 141487817
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
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
dodecyl-dimethyl-undecylazanium
CID 21491028

Frequently Asked Questions

What is the IUPAC name of hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium?
The IUPAC name of hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium (CID 89284356) is hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium.
What is the SMILES notation for hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium?
The canonical SMILES for hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium is CCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(C)C.
What is the InChIKey of hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium?
The InChIKey is OOLBCTIFSINBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54NSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24-26(4,5)6/h7-24H2,1-6H3/q+1.
What are the key properties of hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium?
hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium has a molecular weight of 384.79 g/mol, XLogP of 8.27, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-dimethyl-(3-trimethylsilylpropyl)azanium is sourced from PubChem (CID 89284356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).