ethanol;mercury(2+);dinitrite

C6H18HgN2O7 — CID 20571201

IUPACethanol;mercury(2+);dinitrite
SMILESCCO.CCO.CCO.O=N[O-].O=N[O-].[Hg+2]
InChIInChI=1S/3C2H6O.Hg.2HNO2/c3*1-2-3;;2*2-1-3/h3*3H,2H2,1H3;;2*(H,2,3)/q;;;+2;;/p-2
InChIKeyUYXFRRLBFFLYGR-UHFFFAOYSA-L
MW430.81 g/mol
LogP0.49
Rot. Bonds

About ethanol;mercury(2+);dinitrite

ethanol;mercury(2+);dinitrite (PubChem CID 20571201) has the molecular formula C6H18HgN2O7 and a molecular weight of 430.81 g/mol. Its IUPAC name is ethanol;mercury(2+);dinitrite.

Molecular Properties

Compound Nameethanol;mercury(2+);dinitrite
PubChem CID20571201
Molecular FormulaC6H18HgN2O7
Molecular Weight430.81 g/mol
Exact Mass432.08
IUPAC Nameethanol;mercury(2+);dinitrite
SMILESCCO.CCO.CCO.O=N[O-].O=N[O-].[Hg+2]
InChIInChI=1S/3C2H6O.Hg.2HNO2/c3*1-2-3;;2*2-1-3/h3*3H,2H2,1H3;;2*(H,2,3)/q;;;+2;;/p-2
InChIKeyUYXFRRLBFFLYGR-UHFFFAOYSA-L
XLogP0.49
TPSA165.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 20571201) 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.CCO.O=N[O-].O=N[O-].[Hg+2].
What is the InChIKey of ethanol;mercury(2+);dinitrite?
The InChIKey is UYXFRRLBFFLYGR-UHFFFAOYSA-L. The full InChI is InChI=1S/3C2H6O.Hg.2HNO2/c3*1-2-3;;2*2-1-3/h3*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 430.81 g/mol, XLogP of 0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;mercury(2+);dinitrite is sourced from PubChem (CID 20571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).