disodium;3,4,5-trioxocyclopentene-1,2-diolate

C5Na2O5 — CID 172638477

IUPACdisodium;3,4,5-trioxocyclopentene-1,2-diolate
SMILESO=c1c([O-])c([O-])c(=O)c1=O.[Na+].[Na+]
InChIInChI=1S/C5H2O5.2Na/c6-1-2(7)4(9)5(10)3(1)8;;/h6-7H;;/q;2*+1/p-2
InChIKeyOQXLFPHHAAAVKQ-UHFFFAOYSA-L
MW186.03 g/mol
LogP-9.20
Rot. Bonds

About disodium;3,4,5-trioxocyclopentene-1,2-diolate

disodium;3,4,5-trioxocyclopentene-1,2-diolate (PubChem CID 172638477) has the molecular formula C5Na2O5 and a molecular weight of 186.03 g/mol. Its IUPAC name is disodium;3,4,5-trioxocyclopentene-1,2-diolate.

Molecular Properties

Compound Namedisodium;3,4,5-trioxocyclopentene-1,2-diolate
PubChem CID172638477
Molecular FormulaC5Na2O5
Molecular Weight186.03 g/mol
Exact Mass185.95
IUPAC Namedisodium;3,4,5-trioxocyclopentene-1,2-diolate
SMILESO=c1c([O-])c([O-])c(=O)c1=O.[Na+].[Na+]
InChIInChI=1S/C5H2O5.2Na/c6-1-2(7)4(9)5(10)3(1)8;;/h6-7H;;/q;2*+1/p-2
InChIKeyOQXLFPHHAAAVKQ-UHFFFAOYSA-L
XLogP-9.20
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 5-9.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;3,4,5-trioxocyclopentene-1,2-diolate?
The IUPAC name of disodium;3,4,5-trioxocyclopentene-1,2-diolate (CID 172638477) is disodium;3,4,5-trioxocyclopentene-1,2-diolate.
What is the SMILES notation for disodium;3,4,5-trioxocyclopentene-1,2-diolate?
The canonical SMILES for disodium;3,4,5-trioxocyclopentene-1,2-diolate is O=c1c([O-])c([O-])c(=O)c1=O.[Na+].[Na+].
What is the InChIKey of disodium;3,4,5-trioxocyclopentene-1,2-diolate?
The InChIKey is OQXLFPHHAAAVKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H2O5.2Na/c6-1-2(7)4(9)5(10)3(1)8;;/h6-7H;;/q;2*+1/p-2.
What are the key properties of disodium;3,4,5-trioxocyclopentene-1,2-diolate?
disodium;3,4,5-trioxocyclopentene-1,2-diolate has a molecular weight of 186.03 g/mol, XLogP of -9.20, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3,4,5-trioxocyclopentene-1,2-diolate is sourced from PubChem (CID 172638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).