hexyl-dimethyl-(tributoxysilylmethyl)azanium

C21H48NO3Si+ — CID 71389755

IUPAChexyl-dimethyl-(tributoxysilylmethyl)azanium
SMILESCCCCCC[N+](C)(C)C[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C21H48NO3Si/c1-7-11-15-16-17-22(5,6)21-26(23-18-12-8-2,24-19-13-9-3)25-20-14-10-4/h7-21H2,1-6H3/q+1
InChIKeyDUUWKXIPFXDAFS-UHFFFAOYSA-N
MW390.71 g/mol
LogP5.57
Rot. Bonds19

About hexyl-dimethyl-(tributoxysilylmethyl)azanium

hexyl-dimethyl-(tributoxysilylmethyl)azanium (PubChem CID 71389755) has the molecular formula C21H48NO3Si+ and a molecular weight of 390.71 g/mol. Its IUPAC name is hexyl-dimethyl-(tributoxysilylmethyl)azanium.

Molecular Properties

Compound Namehexyl-dimethyl-(tributoxysilylmethyl)azanium
PubChem CID71389755
Molecular FormulaC21H48NO3Si+
Molecular Weight390.71 g/mol
Exact Mass390.34
IUPAC Namehexyl-dimethyl-(tributoxysilylmethyl)azanium
SMILESCCCCCC[N+](C)(C)C[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C21H48NO3Si/c1-7-11-15-16-17-22(5,6)21-26(23-18-12-8-2,24-19-13-9-3)25-20-14-10-4/h7-21H2,1-6H3/q+1
InChIKeyDUUWKXIPFXDAFS-UHFFFAOYSA-N
XLogP5.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dimethyl-octadecyl-(triethoxysilylmethyl)azanium chloride
CID 71389770
decyl-dimethyl-(trimethoxysilylmethyl)azanium
CID 71389761
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

Frequently Asked Questions

What is the IUPAC name of hexyl-dimethyl-(tributoxysilylmethyl)azanium?
The IUPAC name of hexyl-dimethyl-(tributoxysilylmethyl)azanium (CID 71389755) is hexyl-dimethyl-(tributoxysilylmethyl)azanium.
What is the SMILES notation for hexyl-dimethyl-(tributoxysilylmethyl)azanium?
The canonical SMILES for hexyl-dimethyl-(tributoxysilylmethyl)azanium is CCCCCC[N+](C)(C)C[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of hexyl-dimethyl-(tributoxysilylmethyl)azanium?
The InChIKey is DUUWKXIPFXDAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48NO3Si/c1-7-11-15-16-17-22(5,6)21-26(23-18-12-8-2,24-19-13-9-3)25-20-14-10-4/h7-21H2,1-6H3/q+1.
What are the key properties of hexyl-dimethyl-(tributoxysilylmethyl)azanium?
hexyl-dimethyl-(tributoxysilylmethyl)azanium has a molecular weight of 390.71 g/mol, XLogP of 5.57, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-dimethyl-(tributoxysilylmethyl)azanium is sourced from PubChem (CID 71389755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).