dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate

C10H10O6 — CID 10704413

IUPACdimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate
SMILESCOC(=O)c1cc(=O)oc(C)c1C(=O)OC
InChIInChI=1S/C10H10O6/c1-5-8(10(13)15-3)6(9(12)14-2)4-7(11)16-5/h4H,1-3H3
InChIKeySTRCPFHEXTVRBW-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.52
Rot. Bonds2

About dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate

dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate (PubChem CID 10704413) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate
PubChem CID10704413
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namedimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate
SMILESCOC(=O)c1cc(=O)oc(C)c1C(=O)OC
InChIInChI=1S/C10H10O6/c1-5-8(10(13)15-3)6(9(12)14-2)4-7(11)16-5/h4H,1-3H3
InChIKeySTRCPFHEXTVRBW-UHFFFAOYSA-N
XLogP0.52
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate (CID 10704413) is dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate is COC(=O)c1cc(=O)oc(C)c1C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate?
The InChIKey is STRCPFHEXTVRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-5-8(10(13)15-3)6(9(12)14-2)4-7(11)16-5/h4H,1-3H3.
What are the key properties of dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate?
dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate has a molecular weight of 226.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-6-oxopyran-3,4-dicarboxylate is sourced from PubChem (CID 10704413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).