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

C5O5-2 — CID 5246919

IUPAC3,4,5-trioxocyclopentene-1,2-diolate
SMILESO=c1c([O-])c([O-])c(=O)c1=O
InChIInChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H/p-2
InChIKeyRBSLJAJQOVYTRQ-UHFFFAOYSA-L
MW140.05 g/mol
LogP-3.21
Rot. Bonds

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

3,4,5-trioxocyclopentene-1,2-diolate (PubChem CID 5246919) has the molecular formula C5O5-2 and a molecular weight of 140.05 g/mol. Its IUPAC name is 3,4,5-trioxocyclopentene-1,2-diolate.

Molecular Properties

Compound Name3,4,5-trioxocyclopentene-1,2-diolate
PubChem CID5246919
Molecular FormulaC5O5-2
Molecular Weight140.05 g/mol
Exact Mass139.98
IUPAC Name3,4,5-trioxocyclopentene-1,2-diolate
SMILESO=c1c([O-])c([O-])c(=O)c1=O
InChIInChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H/p-2
InChIKeyRBSLJAJQOVYTRQ-UHFFFAOYSA-L
XLogP-3.21
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.05
LogP ≤ 5-3.21
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 3,4,5-trioxocyclopentene-1,2-diolate?
The IUPAC name of 3,4,5-trioxocyclopentene-1,2-diolate (CID 5246919) is 3,4,5-trioxocyclopentene-1,2-diolate.
What is the SMILES notation for 3,4,5-trioxocyclopentene-1,2-diolate?
The canonical SMILES for 3,4,5-trioxocyclopentene-1,2-diolate is O=c1c([O-])c([O-])c(=O)c1=O.
What is the InChIKey of 3,4,5-trioxocyclopentene-1,2-diolate?
The InChIKey is RBSLJAJQOVYTRQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H/p-2.
What are the key properties of 3,4,5-trioxocyclopentene-1,2-diolate?
3,4,5-trioxocyclopentene-1,2-diolate has a molecular weight of 140.05 g/mol, XLogP of -3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trioxocyclopentene-1,2-diolate is sourced from PubChem (CID 5246919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).