tributyl(1-trimethoxysilylethyl)azanium chloride

C17H40ClNO3Si — CID 23089800

IUPACtributyl(1-trimethoxysilylethyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)C(C)[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C17H40NO3Si.ClH/c1-8-11-14-18(15-12-9-2,16-13-10-3)17(4)22(19-5,20-6)21-7;/h17H,8-16H2,1-7H3;1H/q+1;/p-1
InChIKeyYSHQIPFZPSVBFQ-UHFFFAOYSA-M
MW370.05 g/mol
LogP1.01
Rot. Bonds14

About tributyl(1-trimethoxysilylethyl)azanium chloride

tributyl(1-trimethoxysilylethyl)azanium chloride (PubChem CID 23089800) has the molecular formula C17H40ClNO3Si and a molecular weight of 370.05 g/mol. Its IUPAC name is tributyl(1-trimethoxysilylethyl)azanium chloride.

Molecular Properties

Compound Nametributyl(1-trimethoxysilylethyl)azanium chloride
PubChem CID23089800
Molecular FormulaC17H40ClNO3Si
Molecular Weight370.05 g/mol
Exact Mass369.25
IUPAC Nametributyl(1-trimethoxysilylethyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)C(C)[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C17H40NO3Si.ClH/c1-8-11-14-18(15-12-9-2,16-13-10-3)17(4)22(19-5,20-6)21-7;/h17H,8-16H2,1-7H3;1H/q+1;/p-1
InChIKeyYSHQIPFZPSVBFQ-UHFFFAOYSA-M
XLogP1.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.05
LogP ≤ 51.01
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(pentan-2-yl)azanium chloride
CID 87105344
tributyl(3-trimethoxysilylpropyl)azanium chloride
CID 15001028
tripropyl(1-trimethoxysilylpropyl)azanium hydroxide
CID 87513848
dibutyl-ethyl-hexan-2-ylazanium
CID 175384713
dodecyl-dimethyl-(1-trimethoxysilylpropyl)azanium bromide
CID 175037692
1-butoxypropyl(trimethoxy)silane
CID 174729395
3-fluorodecan-2-yl(trimethoxy)silane
CID 87402948
1-trimethoxysilyloctan-1-amine
CID 87463125
diethyl-hexyl-(1-hydroxyethyl)azanium chloride
CID 174515808
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
2-(tributylazaniumyl)dodecanoate
CID 20818039

Frequently Asked Questions

What is the IUPAC name of tributyl(1-trimethoxysilylethyl)azanium chloride?
The IUPAC name of tributyl(1-trimethoxysilylethyl)azanium chloride (CID 23089800) is tributyl(1-trimethoxysilylethyl)azanium chloride.
What is the SMILES notation for tributyl(1-trimethoxysilylethyl)azanium chloride?
The canonical SMILES for tributyl(1-trimethoxysilylethyl)azanium chloride is CCCC[N+](CCCC)(CCCC)C(C)[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of tributyl(1-trimethoxysilylethyl)azanium chloride?
The InChIKey is YSHQIPFZPSVBFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H40NO3Si.ClH/c1-8-11-14-18(15-12-9-2,16-13-10-3)17(4)22(19-5,20-6)21-7;/h17H,8-16H2,1-7H3;1H/q+1;/p-1.
What are the key properties of tributyl(1-trimethoxysilylethyl)azanium chloride?
tributyl(1-trimethoxysilylethyl)azanium chloride has a molecular weight of 370.05 g/mol, XLogP of 1.01, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-trimethoxysilylethyl)azanium chloride is sourced from PubChem (CID 23089800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).