3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione

C8H6O7 — CID 59141604

IUPAC3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione
SMILESO=C1CC(OC2CC(=O)OC2=O)C(=O)O1
InChIInChI=1S/C8H6O7/c9-5-1-3(7(11)14-5)13-4-2-6(10)15-8(4)12/h3-4H,1-2H2
InChIKeyPEBJIJMTKBXUIA-UHFFFAOYSA-N
MW214.13 g/mol
LogP-1.31
Rot. Bonds2

About 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione

3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione (PubChem CID 59141604) has the molecular formula C8H6O7 and a molecular weight of 214.13 g/mol. Its IUPAC name is 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione
PubChem CID59141604
Molecular FormulaC8H6O7
Molecular Weight214.13 g/mol
Exact Mass214.01
IUPAC Name3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione
SMILESO=C1CC(OC2CC(=O)OC2=O)C(=O)O1
InChIInChI=1S/C8H6O7/c9-5-1-3(7(11)14-5)13-4-2-6(10)15-8(4)12/h3-4H,1-2H2
InChIKeyPEBJIJMTKBXUIA-UHFFFAOYSA-N
XLogP-1.31
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione?
The IUPAC name of 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione (CID 59141604) is 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione?
The canonical SMILES for 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione is O=C1CC(OC2CC(=O)OC2=O)C(=O)O1.
What is the InChIKey of 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione?
The InChIKey is PEBJIJMTKBXUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O7/c9-5-1-3(7(11)14-5)13-4-2-6(10)15-8(4)12/h3-4H,1-2H2.
What are the key properties of 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione?
3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione has a molecular weight of 214.13 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione is sourced from PubChem (CID 59141604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).