oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)

C32H72Cr2N2O7 — CID 11767684

IUPACoxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-]
InChIInChI=1S/2C16H36N.2Cr.7O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;/h2*5-16H2,1-4H3;;;;;;;;;/q2*+1;;;;;;;;2*-1
InChIKeyMMKQSIQNDMIVIN-UHFFFAOYSA-N
MW700.93 g/mol
LogP7.08
Rot. Bonds26

About oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)

oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium) (PubChem CID 11767684) has the molecular formula C32H72Cr2N2O7 and a molecular weight of 700.93 g/mol. Its IUPAC name is oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium).

Molecular Properties

Compound Nameoxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)
PubChem CID11767684
Molecular FormulaC32H72Cr2N2O7
Molecular Weight700.93 g/mol
Exact Mass700.41
IUPAC Nameoxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-]
InChIInChI=1S/2C16H36N.2Cr.7O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;/h2*5-16H2,1-4H3;;;;;;;;;/q2*+1;;;;;;;;2*-1
InChIKeyMMKQSIQNDMIVIN-UHFFFAOYSA-N
XLogP7.08
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)?
The IUPAC name of oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium) (CID 11767684) is oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium).
What is the SMILES notation for oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)?
The canonical SMILES for oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium) is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].
What is the InChIKey of oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)?
The InChIKey is MMKQSIQNDMIVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H36N.2Cr.7O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;/h2*5-16H2,1-4H3;;;;;;;;;/q2*+1;;;;;;;;2*-1.
What are the key properties of oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium)?
oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium) has a molecular weight of 700.93 g/mol, XLogP of 7.08, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-(oxido(dioxo)chromio)oxy-dioxochromium;bis(tetrabutylazanium) is sourced from PubChem (CID 11767684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).