tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide

C16H37NO4Ru — CID 21458250

IUPACtris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[O-2].[O-2].[O-2].[OH-].[Ru+6]
InChIInChI=1S/C16H36N.H2O.3O.Ru/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;1H2;;;;/q+1;;3*-2;+6/p-1
InChIKeyCAOSPVSJKIVCSZ-UHFFFAOYSA-M
MW408.55 g/mol
LogP4.47
Rot. Bonds12

About tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide

tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide (PubChem CID 21458250) has the molecular formula C16H37NO4Ru and a molecular weight of 408.55 g/mol. Its IUPAC name is tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide.

Molecular Properties

Compound Nametris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide
PubChem CID21458250
Molecular FormulaC16H37NO4Ru
Molecular Weight408.55 g/mol
Exact Mass409.18
IUPAC Nametris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[O-2].[O-2].[O-2].[OH-].[Ru+6]
InChIInChI=1S/C16H36N.H2O.3O.Ru/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;1H2;;;;/q+1;;3*-2;+6/p-1
InChIKeyCAOSPVSJKIVCSZ-UHFFFAOYSA-M
XLogP4.47
TPSA115.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylazanium hydroxide
CID 2723671
azane;phosphane;tetrabutylazanium;hydroxide
CID 174846228
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
tetrabutylazanium;pentahydrate
CID 173386676
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
tributyl(triacontyl)azanium
CID 153322884
tetrabutylazanium;chloride;hydrobromide
CID 160850218
potassium;tetrabutylazanium;diiodide
CID 144841578
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
phosphane;tetrabutylazanium;fluoride
CID 174703499
gold(3+);tetrabutylazanium;tetrachloride
CID 25141921

Frequently Asked Questions

What is the IUPAC name of tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide?
The IUPAC name of tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide (CID 21458250) is tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide.
What is the SMILES notation for tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide?
The canonical SMILES for tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide is CCCC[N+](CCCC)(CCCC)CCCC.[O-2].[O-2].[O-2].[OH-].[Ru+6].
What is the InChIKey of tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide?
The InChIKey is CAOSPVSJKIVCSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.H2O.3O.Ru/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;1H2;;;;/q+1;;3*-2;+6/p-1.
What are the key properties of tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide?
tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide has a molecular weight of 408.55 g/mol, XLogP of 4.47, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide is sourced from PubChem (CID 21458250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).