oxane-2,6-dione;oxolane-2,5-dione

C9H10O6 — CID 88667859

IUPACoxane-2,6-dione;oxolane-2,5-dione
SMILESO=C1CCC(=O)O1.O=C1CCCC(=O)O1
InChIInChI=1S/C5H6O3.C4H4O3/c6-4-2-1-3-5(7)8-4;5-3-1-2-4(6)7-3/h1-3H2;1-2H2
InChIKeyPGLCGWGFQUUTIU-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.09
Rot. Bonds

About oxane-2,6-dione;oxolane-2,5-dione

oxane-2,6-dione;oxolane-2,5-dione (PubChem CID 88667859) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is oxane-2,6-dione;oxolane-2,5-dione.

Molecular Properties

Compound Nameoxane-2,6-dione;oxolane-2,5-dione
PubChem CID88667859
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Nameoxane-2,6-dione;oxolane-2,5-dione
SMILESO=C1CCC(=O)O1.O=C1CCCC(=O)O1
InChIInChI=1S/C5H6O3.C4H4O3/c6-4-2-1-3-5(7)8-4;5-3-1-2-4(6)7-3/h1-3H2;1-2H2
InChIKeyPGLCGWGFQUUTIU-UHFFFAOYSA-N
XLogP0.09
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 oxane-2,6-dione;oxolane-2,5-dione?
The IUPAC name of oxane-2,6-dione;oxolane-2,5-dione (CID 88667859) is oxane-2,6-dione;oxolane-2,5-dione.
What is the SMILES notation for oxane-2,6-dione;oxolane-2,5-dione?
The canonical SMILES for oxane-2,6-dione;oxolane-2,5-dione is O=C1CCC(=O)O1.O=C1CCCC(=O)O1.
What is the InChIKey of oxane-2,6-dione;oxolane-2,5-dione?
The InChIKey is PGLCGWGFQUUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C4H4O3/c6-4-2-1-3-5(7)8-4;5-3-1-2-4(6)7-3/h1-3H2;1-2H2.
What are the key properties of oxane-2,6-dione;oxolane-2,5-dione?
oxane-2,6-dione;oxolane-2,5-dione has a molecular weight of 214.17 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-2,6-dione;oxolane-2,5-dione is sourced from PubChem (CID 88667859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).