dimethyl 6-oxopyran-2,4-dicarboxylate

C9H8O6 — CID 18325647

IUPACdimethyl 6-oxopyran-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)oc(=O)c1
InChIInChI=1S/C9H8O6/c1-13-8(11)5-3-6(9(12)14-2)15-7(10)4-5/h3-4H,1-2H3
InChIKeyWWBUPWMWKACXRS-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.21
Rot. Bonds2

About dimethyl 6-oxopyran-2,4-dicarboxylate

dimethyl 6-oxopyran-2,4-dicarboxylate (PubChem CID 18325647) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is dimethyl 6-oxopyran-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-oxopyran-2,4-dicarboxylate
PubChem CID18325647
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Namedimethyl 6-oxopyran-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)oc(=O)c1
InChIInChI=1S/C9H8O6/c1-13-8(11)5-3-6(9(12)14-2)15-7(10)4-5/h3-4H,1-2H3
InChIKeyWWBUPWMWKACXRS-UHFFFAOYSA-N
XLogP0.21
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-oxopyran-2,4-dicarboxylate?
The IUPAC name of dimethyl 6-oxopyran-2,4-dicarboxylate (CID 18325647) is dimethyl 6-oxopyran-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 6-oxopyran-2,4-dicarboxylate?
The canonical SMILES for dimethyl 6-oxopyran-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)oc(=O)c1.
What is the InChIKey of dimethyl 6-oxopyran-2,4-dicarboxylate?
The InChIKey is WWBUPWMWKACXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c1-13-8(11)5-3-6(9(12)14-2)15-7(10)4-5/h3-4H,1-2H3.
What are the key properties of dimethyl 6-oxopyran-2,4-dicarboxylate?
dimethyl 6-oxopyran-2,4-dicarboxylate has a molecular weight of 212.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-oxopyran-2,4-dicarboxylate is sourced from PubChem (CID 18325647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).