butyl(3-trihydroxysilylpropyl)azanium bromide

C7H20BrNO3Si — CID 141269763

IUPACbutyl(3-trihydroxysilylpropyl)azanium bromide
SMILESCCCC[NH2+]CCC[Si](O)(O)O.[Br-]
InChIInChI=1S/C7H19NO3Si.BrH/c1-2-3-5-8-6-4-7-12(9,10)11;/h8-11H,2-7H2,1H3;1H
InChIKeyLQCNLBROEPWZBU-UHFFFAOYSA-N
MW274.23 g/mol
LogP-4.34
Rot. Bonds7

About butyl(3-trihydroxysilylpropyl)azanium bromide

butyl(3-trihydroxysilylpropyl)azanium bromide (PubChem CID 141269763) has the molecular formula C7H20BrNO3Si and a molecular weight of 274.23 g/mol. Its IUPAC name is butyl(3-trihydroxysilylpropyl)azanium bromide.

Molecular Properties

Compound Namebutyl(3-trihydroxysilylpropyl)azanium bromide
PubChem CID141269763
Molecular FormulaC7H20BrNO3Si
Molecular Weight274.23 g/mol
Exact Mass273.04
IUPAC Namebutyl(3-trihydroxysilylpropyl)azanium bromide
SMILESCCCC[NH2+]CCC[Si](O)(O)O.[Br-]
InChIInChI=1S/C7H19NO3Si.BrH/c1-2-3-5-8-6-4-7-12(9,10)11;/h8-11H,2-7H2,1H3;1H
InChIKeyLQCNLBROEPWZBU-UHFFFAOYSA-N
XLogP-4.34
TPSA77.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-4.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl(dodecyl)azanium
CID 91941247
butyl(tetradecyl)azanium chloride
CID 20788665
dibutylazanium hexafluorophosphate
CID 23620950
N-(3-trihydroxysilylpropyl)butan-1-amine
CID 87400423
didodecylazanium fluoride
CID 87135434
CID 139206332
CID 139206332
azanium;dioctadecylazanium;dichloride
CID 172767895
bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane
CID 159758461
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
decyl-dimethyl-(3-trihydroxysilylpropyl)azanium chloride
CID 158874398
dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
CID 167572282
pentyl(prop-2-enyl)azanium chloride
CID 87130564

Frequently Asked Questions

What is the IUPAC name of butyl(3-trihydroxysilylpropyl)azanium bromide?
The IUPAC name of butyl(3-trihydroxysilylpropyl)azanium bromide (CID 141269763) is butyl(3-trihydroxysilylpropyl)azanium bromide.
What is the SMILES notation for butyl(3-trihydroxysilylpropyl)azanium bromide?
The canonical SMILES for butyl(3-trihydroxysilylpropyl)azanium bromide is CCCC[NH2+]CCC[Si](O)(O)O.[Br-].
What is the InChIKey of butyl(3-trihydroxysilylpropyl)azanium bromide?
The InChIKey is LQCNLBROEPWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO3Si.BrH/c1-2-3-5-8-6-4-7-12(9,10)11;/h8-11H,2-7H2,1H3;1H.
What are the key properties of butyl(3-trihydroxysilylpropyl)azanium bromide?
butyl(3-trihydroxysilylpropyl)azanium bromide has a molecular weight of 274.23 g/mol, XLogP of -4.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(3-trihydroxysilylpropyl)azanium bromide is sourced from PubChem (CID 141269763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).