6-oxopyran-2,4-dicarboxylate

C7H2O6-2 — CID 22483467

IUPAC6-oxopyran-2,4-dicarboxylate
SMILESO=C([O-])c1cc(C(=O)[O-])oc(=O)c1
InChIInChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2
InChIKeyVRMXCPVFSJVVCA-UHFFFAOYSA-L
MW182.09 g/mol
LogP-2.63
Rot. Bonds2

About 6-oxopyran-2,4-dicarboxylate

6-oxopyran-2,4-dicarboxylate (PubChem CID 22483467) has the molecular formula C7H2O6-2 and a molecular weight of 182.09 g/mol. Its IUPAC name is 6-oxopyran-2,4-dicarboxylate.

Molecular Properties

Compound Name6-oxopyran-2,4-dicarboxylate
PubChem CID22483467
Molecular FormulaC7H2O6-2
Molecular Weight182.09 g/mol
Exact Mass181.99
IUPAC Name6-oxopyran-2,4-dicarboxylate
SMILESO=C([O-])c1cc(C(=O)[O-])oc(=O)c1
InChIInChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2
InChIKeyVRMXCPVFSJVVCA-UHFFFAOYSA-L
XLogP-2.63
TPSA110.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxopyran-2,4-dicarboxylate?
The IUPAC name of 6-oxopyran-2,4-dicarboxylate (CID 22483467) is 6-oxopyran-2,4-dicarboxylate.
What is the SMILES notation for 6-oxopyran-2,4-dicarboxylate?
The canonical SMILES for 6-oxopyran-2,4-dicarboxylate is O=C([O-])c1cc(C(=O)[O-])oc(=O)c1.
What is the InChIKey of 6-oxopyran-2,4-dicarboxylate?
The InChIKey is VRMXCPVFSJVVCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2.
What are the key properties of 6-oxopyran-2,4-dicarboxylate?
6-oxopyran-2,4-dicarboxylate has a molecular weight of 182.09 g/mol, XLogP of -2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopyran-2,4-dicarboxylate is sourced from PubChem (CID 22483467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).