bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium

C18H42NO5Si+ — CID 153332881

IUPACbis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium
SMILESCCO[Si](CCC[N+](C)(CCCCO)CCCCO)(OCC)OCC
InChIInChI=1S/C18H42NO5Si/c1-5-22-25(23-6-2,24-7-3)18-12-15-19(4,13-8-10-16-20)14-9-11-17-21/h20-21H,5-18H2,1-4H3/q+1
InChIKeyGMXBYLISGPLOHG-UHFFFAOYSA-N
MW380.62 g/mol
LogP2.42
Rot. Bonds18

About bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium

bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium (PubChem CID 153332881) has the molecular formula C18H42NO5Si+ and a molecular weight of 380.62 g/mol. Its IUPAC name is bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium.

Molecular Properties

Compound Namebis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium
PubChem CID153332881
Molecular FormulaC18H42NO5Si+
Molecular Weight380.62 g/mol
Exact Mass380.28
IUPAC Namebis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium
SMILESCCO[Si](CCC[N+](C)(CCCCO)CCCCO)(OCC)OCC
InChIInChI=1S/C18H42NO5Si/c1-5-22-25(23-6-2,24-7-3)18-12-15-19(4,13-8-10-16-20)14-9-11-17-21/h20-21H,5-18H2,1-4H3/q+1
InChIKeyGMXBYLISGPLOHG-UHFFFAOYSA-N
XLogP2.42
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

37-triethoxysilylheptatriacontan-1-ol
CID 87684596
ethyl-bis(3-hydroxypropyl)-(3-triethoxysilylpropyl)azanium
CID 153332867
ethyl-methyl-octadecyl-(3-triethoxysilylpropyl)azanium
CID 172724768
icosyl-dimethyl-(3-triethoxysilylpropyl)azanium iodide
CID 164521068
4-hydroxybutyl-methyl-dioctylazanium
CID 139954399
4-hydroxybutyl-methyl-di(nonyl)azanium
CID 139956311
triethyl(3-triethoxysilylpropyl)azanium iodide
CID 139933517
didecyl-[3-[2,2-dimethylbutoxy-bis(3-hydroxy-2,2-dimethylpropoxy)silyl]propyl]-methylazanium
CID 171717064
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
4-hydroxybutyl-methyl-octyl-pentylazanium chloride
CID 139955755
didecyl-(4-hydroxybutyl)-methylazanium bromide
CID 139956409
4-hydroxybutyl-methyl-di(undecyl)azanium iodide
CID 139956497

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium?
The IUPAC name of bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium (CID 153332881) is bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium.
What is the SMILES notation for bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium?
The canonical SMILES for bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium is CCO[Si](CCC[N+](C)(CCCCO)CCCCO)(OCC)OCC.
What is the InChIKey of bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium?
The InChIKey is GMXBYLISGPLOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42NO5Si/c1-5-22-25(23-6-2,24-7-3)18-12-15-19(4,13-8-10-16-20)14-9-11-17-21/h20-21H,5-18H2,1-4H3/q+1.
What are the key properties of bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium?
bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium has a molecular weight of 380.62 g/mol, XLogP of 2.42, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium is sourced from PubChem (CID 153332881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).