bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium

C6H20Cr2N4O11 — CID 133064690

IUPACbis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
SMILESO=C([O-])C(=O)[O-].O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[NH3+]CC[NH3+].[NH3+]CC[NH3+]
InChIInChI=1S/2C2H8N2.C2H2O4.2Cr.7O/c2*3-1-2-4;3-1(4)2(5)6;;;;;;;;;/h2*1-4H2;(H,3,4)(H,5,6);;;;;;;;;/q;;;;;;;;;;2*-1/p+2
InChIKeyBBMGMGFPMVZJGL-UHFFFAOYSA-P
MW428.24 g/mol
LogP-11.50
Rot. Bonds4

About bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium

bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium (PubChem CID 133064690) has the molecular formula C6H20Cr2N4O11 and a molecular weight of 428.24 g/mol. Its IUPAC name is bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium.

Molecular Properties

Compound Namebis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
PubChem CID133064690
Molecular FormulaC6H20Cr2N4O11
Molecular Weight428.24 g/mol
Exact Mass427.99
IUPAC Namebis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
SMILESO=C([O-])C(=O)[O-].O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[NH3+]CC[NH3+].[NH3+]CC[NH3+]
InChIInChI=1S/2C2H8N2.C2H2O4.2Cr.7O/c2*3-1-2-4;3-1(4)2(5)6;;;;;;;;;/h2*1-4H2;(H,3,4)(H,5,6);;;;;;;;;/q;;;;;;;;;;2*-1/p+2
InChIKeyBBMGMGFPMVZJGL-UHFFFAOYSA-P
XLogP-11.50
TPSA314.45 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.24
LogP ≤ 5-11.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

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bis(nickel(2+));oxalate;dihydrate
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Frequently Asked Questions

What is the IUPAC name of bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium?
The IUPAC name of bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium (CID 133064690) is bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium.
What is the SMILES notation for bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium?
The canonical SMILES for bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium is O=C([O-])C(=O)[O-].O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[NH3+]CC[NH3+].[NH3+]CC[NH3+].
What is the InChIKey of bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium?
The InChIKey is BBMGMGFPMVZJGL-UHFFFAOYSA-P. The full InChI is InChI=1S/2C2H8N2.C2H2O4.2Cr.7O/c2*3-1-2-4;3-1(4)2(5)6;;;;;;;;;/h2*1-4H2;(H,3,4)(H,5,6);;;;;;;;;/q;;;;;;;;;;2*-1/p+2.
What are the key properties of bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium?
bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium has a molecular weight of 428.24 g/mol, XLogP of -11.50, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-azaniumylethylazanium);oxalate;oxido-(oxido(dioxo)chromio)oxy-dioxochromium is sourced from PubChem (CID 133064690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).