tributyl(3-trimethoxysilylpropyl)azanium chloride

C18H42ClNO3Si — CID 15001028

IUPACtributyl(3-trimethoxysilylpropyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C18H42NO3Si.ClH/c1-7-10-14-19(15-11-8-2,16-12-9-3)17-13-18-23(20-4,21-5)22-6;/h7-18H2,1-6H3;1H/q+1;/p-1
InChIKeyIZYSGILYXDPPNF-UHFFFAOYSA-M
MW384.08 g/mol
LogP1.48
Rot. Bonds16

About tributyl(3-trimethoxysilylpropyl)azanium chloride

tributyl(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 15001028) has the molecular formula C18H42ClNO3Si and a molecular weight of 384.08 g/mol. Its IUPAC name is tributyl(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Nametributyl(3-trimethoxysilylpropyl)azanium chloride
PubChem CID15001028
Molecular FormulaC18H42ClNO3Si
Molecular Weight384.08 g/mol
Exact Mass383.26
IUPAC Nametributyl(3-trimethoxysilylpropyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C18H42NO3Si.ClH/c1-7-10-14-19(15-11-8-2,16-12-9-3)17-13-18-23(20-4,21-5)22-6;/h7-18H2,1-6H3;1H/q+1;/p-1
InChIKeyIZYSGILYXDPPNF-UHFFFAOYSA-M
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.08
LogP ≤ 51.48
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

trihexyl(3-trimethoxysilylpropyl)azanium bromide
CID 86088906
ethyl-hexadecyl-methyl-(3-trimethoxysilylpropyl)azanium chloride
CID 141071591
tributyl(3-tripropoxysilylpropyl)azanium chloride
CID 161047620
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
tributyl(3-triethoxysilylpropyl)azanium iodide
CID 139933506
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium fluoride
CID 141427162

Frequently Asked Questions

What is the IUPAC name of tributyl(3-trimethoxysilylpropyl)azanium chloride?
The IUPAC name of tributyl(3-trimethoxysilylpropyl)azanium chloride (CID 15001028) is tributyl(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for tributyl(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for tributyl(3-trimethoxysilylpropyl)azanium chloride is CCCC[N+](CCCC)(CCCC)CCC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of tributyl(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is IZYSGILYXDPPNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H42NO3Si.ClH/c1-7-10-14-19(15-11-8-2,16-12-9-3)17-13-18-23(20-4,21-5)22-6;/h7-18H2,1-6H3;1H/q+1;/p-1.
What are the key properties of tributyl(3-trimethoxysilylpropyl)azanium chloride?
tributyl(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 384.08 g/mol, XLogP of 1.48, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-trimethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 15001028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).