ethanol;mercury(2+);dinitrite

C4H12HgN2O6 — CID 20571200

IUPACethanol;mercury(2+);dinitrite
SMILESCCO.CCO.O=N[O-].O=N[O-].[Hg+2]
InChIInChI=1S/2C2H6O.Hg.2HNO2/c2*1-2-3;;2*2-1-3/h2*3H,2H2,1H3;;2*(H,2,3)/q;;+2;;/p-2
InChIKeyUWHOYZBFNQYVAZ-UHFFFAOYSA-L
MW384.74 g/mol
LogP0.50
Rot. Bonds

About ethanol;mercury(2+);dinitrite

ethanol;mercury(2+);dinitrite (PubChem CID 20571200) has the molecular formula C4H12HgN2O6 and a molecular weight of 384.74 g/mol. Its IUPAC name is ethanol;mercury(2+);dinitrite.

Molecular Properties

Compound Nameethanol;mercury(2+);dinitrite
PubChem CID20571200
Molecular FormulaC4H12HgN2O6
Molecular Weight384.74 g/mol
Exact Mass386.04
IUPAC Nameethanol;mercury(2+);dinitrite
SMILESCCO.CCO.O=N[O-].O=N[O-].[Hg+2]
InChIInChI=1S/2C2H6O.Hg.2HNO2/c2*1-2-3;;2*2-1-3/h2*3H,2H2,1H3;;2*(H,2,3)/q;;+2;;/p-2
InChIKeyUWHOYZBFNQYVAZ-UHFFFAOYSA-L
XLogP0.50
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.74
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanol;mercury(2+);dinitrite?
The IUPAC name of ethanol;mercury(2+);dinitrite (CID 20571200) is ethanol;mercury(2+);dinitrite.
What is the SMILES notation for ethanol;mercury(2+);dinitrite?
The canonical SMILES for ethanol;mercury(2+);dinitrite is CCO.CCO.O=N[O-].O=N[O-].[Hg+2].
What is the InChIKey of ethanol;mercury(2+);dinitrite?
The InChIKey is UWHOYZBFNQYVAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O.Hg.2HNO2/c2*1-2-3;;2*2-1-3/h2*3H,2H2,1H3;;2*(H,2,3)/q;;+2;;/p-2.
What are the key properties of ethanol;mercury(2+);dinitrite?
ethanol;mercury(2+);dinitrite has a molecular weight of 384.74 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;mercury(2+);dinitrite is sourced from PubChem (CID 20571200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).