tributyl(3-tripropoxysilylpropyl)azanium chloride

C24H54ClNO3Si — CID 161047620

IUPACtributyl(3-tripropoxysilylpropyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)CCC[Si](OCCC)(OCCC)OCCC.[Cl-]
InChIInChI=1S/C24H54NO3Si.ClH/c1-7-13-17-25(18-14-8-2,19-15-9-3)20-16-24-29(26-21-10-4,27-22-11-5)28-23-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1
InChIKeyKLRFOFXOBFOZLN-UHFFFAOYSA-M
MW468.24 g/mol
LogP3.82
Rot. Bonds22

About tributyl(3-tripropoxysilylpropyl)azanium chloride

tributyl(3-tripropoxysilylpropyl)azanium chloride (PubChem CID 161047620) has the molecular formula C24H54ClNO3Si and a molecular weight of 468.24 g/mol. Its IUPAC name is tributyl(3-tripropoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Nametributyl(3-tripropoxysilylpropyl)azanium chloride
PubChem CID161047620
Molecular FormulaC24H54ClNO3Si
Molecular Weight468.24 g/mol
Exact Mass467.36
IUPAC Nametributyl(3-tripropoxysilylpropyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)CCC[Si](OCCC)(OCCC)OCCC.[Cl-]
InChIInChI=1S/C24H54NO3Si.ClH/c1-7-13-17-25(18-14-8-2,19-15-9-3)20-16-24-29(26-21-10-4,27-22-11-5)28-23-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1
InChIKeyKLRFOFXOBFOZLN-UHFFFAOYSA-M
XLogP3.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
dodecyl-dimethyl-(3-tripropoxysilylpropyl)azanium;methyl-di(tridecyl)-(3-tripropoxysilylpropyl)azanium;dichloride
CID 157331339
diethyl-octyl-(3-triethoxysilylpropyl)azanium chloride
CID 158250093
diethyl-octadecyl-(8-triethoxysilyloctyl)azanium chloride
CID 164851776
trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
butyl-methoxy-dipropoxysilane
CID 18672915
4-tripropoxysilylbutan-1-amine
CID 15986561
3-tripropoxysilylpropan-1-ol
CID 19080799
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623

Frequently Asked Questions

What is the IUPAC name of tributyl(3-tripropoxysilylpropyl)azanium chloride?
The IUPAC name of tributyl(3-tripropoxysilylpropyl)azanium chloride (CID 161047620) is tributyl(3-tripropoxysilylpropyl)azanium chloride.
What is the SMILES notation for tributyl(3-tripropoxysilylpropyl)azanium chloride?
The canonical SMILES for tributyl(3-tripropoxysilylpropyl)azanium chloride is CCCC[N+](CCCC)(CCCC)CCC[Si](OCCC)(OCCC)OCCC.[Cl-].
What is the InChIKey of tributyl(3-tripropoxysilylpropyl)azanium chloride?
The InChIKey is KLRFOFXOBFOZLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H54NO3Si.ClH/c1-7-13-17-25(18-14-8-2,19-15-9-3)20-16-24-29(26-21-10-4,27-22-11-5)28-23-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1.
What are the key properties of tributyl(3-tripropoxysilylpropyl)azanium chloride?
tributyl(3-tripropoxysilylpropyl)azanium chloride has a molecular weight of 468.24 g/mol, XLogP of 3.82, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-tripropoxysilylpropyl)azanium chloride is sourced from PubChem (CID 161047620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).