2-oxoniumylideneethylideneoxidanium

C2H4O2+2 — CID 162393511

IUPAC2-oxoniumylideneethylideneoxidanium
SMILES[H]/[O+]=C/C=[O+]/[H]
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+2
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-P
MW60.05 g/mol
LogP-0.66
Rot. Bonds1

About 2-oxoniumylideneethylideneoxidanium

2-oxoniumylideneethylideneoxidanium (PubChem CID 162393511) has the molecular formula C2H4O2+2 and a molecular weight of 60.05 g/mol. Its IUPAC name is 2-oxoniumylideneethylideneoxidanium.

Molecular Properties

Compound Name2-oxoniumylideneethylideneoxidanium
PubChem CID162393511
Molecular FormulaC2H4O2+2
Molecular Weight60.05 g/mol
Exact Mass60.02
IUPAC Name2-oxoniumylideneethylideneoxidanium
SMILES[H]/[O+]=C/C=[O+]/[H]
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+2
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-P
XLogP-0.66
TPSA42.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.05
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoniumylideneethylideneoxidanium?
The IUPAC name of 2-oxoniumylideneethylideneoxidanium (CID 162393511) is 2-oxoniumylideneethylideneoxidanium.
What is the SMILES notation for 2-oxoniumylideneethylideneoxidanium?
The canonical SMILES for 2-oxoniumylideneethylideneoxidanium is [H]/[O+]=C/C=[O+]/[H].
What is the InChIKey of 2-oxoniumylideneethylideneoxidanium?
The InChIKey is LEQAOMBKQFMDFZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C2H2O2/c3-1-2-4/h1-2H/p+2.
What are the key properties of 2-oxoniumylideneethylideneoxidanium?
2-oxoniumylideneethylideneoxidanium has a molecular weight of 60.05 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoniumylideneethylideneoxidanium is sourced from PubChem (CID 162393511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).