tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)

C48H112N4O4Ru — CID 173136039

IUPACtetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.[O-2].[O-2].[O-2].[O-2].[Ru+4]
InChIInChI=1S/4C12H28N.4O.Ru/c4*1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h4*5-12H2,1-4H3;;;;;/q4*+1;4*-2;+4
InChIKeyXGBYULSBTOVGCG-UHFFFAOYSA-N
MW910.52 g/mol
LogP13.30
Rot. Bonds32

About tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)

tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium) (PubChem CID 173136039) has the molecular formula C48H112N4O4Ru and a molecular weight of 910.52 g/mol. Its IUPAC name is tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium).

Molecular Properties

Compound Nametetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
PubChem CID173136039
Molecular FormulaC48H112N4O4Ru
Molecular Weight910.52 g/mol
Exact Mass910.77
IUPAC Nametetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
SMILESCCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.[O-2].[O-2].[O-2].[O-2].[Ru+4]
InChIInChI=1S/4C12H28N.4O.Ru/c4*1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h4*5-12H2,1-4H3;;;;;/q4*+1;4*-2;+4
InChIKeyXGBYULSBTOVGCG-UHFFFAOYSA-N
XLogP13.30
TPSA114.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.52
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

manganese;oxygen(2-);tetrapropylazanium
CID 159090995
antimony(3+);tetrapropylazanium
CID 18954503
tetrapropylazanium;bromide;hydrobromide
CID 87689277
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
tetrapropylazanium periodate
CID 3020483
propyl-tri(tetradecyl)azanium
CID 22408967
potassium;sodium;tetramethylazanium;tetrapropylazanium;tetrahydroxide
CID 156636442
propyl-tri(undecyl)azanium
CID 54352857
dihexyl(dipropyl)azanium
CID 23088856
boric acid;tetrapropylazanium;bromide
CID 175148155
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
dibutyl-hexadecyl-propylazanium
CID 87194483

Frequently Asked Questions

What is the IUPAC name of tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)?
The IUPAC name of tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium) (CID 173136039) is tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium).
What is the SMILES notation for tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)?
The canonical SMILES for tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium) is CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.[O-2].[O-2].[O-2].[O-2].[Ru+4].
What is the InChIKey of tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)?
The InChIKey is XGBYULSBTOVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H28N.4O.Ru/c4*1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h4*5-12H2,1-4H3;;;;;/q4*+1;4*-2;+4.
What are the key properties of tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)?
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium) has a molecular weight of 910.52 g/mol, XLogP of 13.30, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium) is sourced from PubChem (CID 173136039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).