tricesium;tris(rubidium(1+));diborate

B2Cs3O6Rb3 — CID 173114085

IUPACtricesium;tris(rubidium(1+));diborate
SMILES[Cs+].[Cs+].[Cs+].[O-]B([O-])[O-].[O-]B([O-])[O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/2BO3.3Cs.3Rb/c2*2-1(3)4;;;;;;/q2*-3;6*+1
InChIKeyJYKGTGNZBHSNTB-UHFFFAOYSA-N
MW772.74 g/mol
LogP-25.87
Rot. Bonds

About tricesium;tris(rubidium(1+));diborate

tricesium;tris(rubidium(1+));diborate (PubChem CID 173114085) has the molecular formula B2Cs3O6Rb3 and a molecular weight of 772.74 g/mol. Its IUPAC name is tricesium;tris(rubidium(1+));diborate.

Molecular Properties

Compound Nametricesium;tris(rubidium(1+));diborate
PubChem CID173114085
Molecular FormulaB2Cs3O6Rb3
Molecular Weight772.74 g/mol
Exact Mass771.44
IUPAC Nametricesium;tris(rubidium(1+));diborate
SMILES[Cs+].[Cs+].[Cs+].[O-]B([O-])[O-].[O-]B([O-])[O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/2BO3.3Cs.3Rb/c2*2-1(3)4;;;;;;/q2*-3;6*+1
InChIKeyJYKGTGNZBHSNTB-UHFFFAOYSA-N
XLogP-25.87
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500772.74
LogP ≤ 5-25.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricesium;tris(rubidium(1+));diborate?
The IUPAC name of tricesium;tris(rubidium(1+));diborate (CID 173114085) is tricesium;tris(rubidium(1+));diborate.
What is the SMILES notation for tricesium;tris(rubidium(1+));diborate?
The canonical SMILES for tricesium;tris(rubidium(1+));diborate is [Cs+].[Cs+].[Cs+].[O-]B([O-])[O-].[O-]B([O-])[O-].[Rb+].[Rb+].[Rb+].
What is the InChIKey of tricesium;tris(rubidium(1+));diborate?
The InChIKey is JYKGTGNZBHSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2BO3.3Cs.3Rb/c2*2-1(3)4;;;;;;/q2*-3;6*+1.
What are the key properties of tricesium;tris(rubidium(1+));diborate?
tricesium;tris(rubidium(1+));diborate has a molecular weight of 772.74 g/mol, XLogP of -25.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tricesium;tris(rubidium(1+));diborate is sourced from PubChem (CID 173114085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).