2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid

C9H8O6 — CID 152755757

IUPAC2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid
SMILESCc1oc(C)c(C(=O)O)c(=O)c1C(=O)O
InChIInChI=1S/C9H8O6/c1-3-5(8(11)12)7(10)6(9(13)14)4(2)15-3/h1-2H3,(H,11,12)(H,13,14)
InChIKeyDCOKCGSUGZMAHJ-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.65
Rot. Bonds2

About 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid

2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid (PubChem CID 152755757) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid
PubChem CID152755757
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid
SMILESCc1oc(C)c(C(=O)O)c(=O)c1C(=O)O
InChIInChI=1S/C9H8O6/c1-3-5(8(11)12)7(10)6(9(13)14)4(2)15-3/h1-2H3,(H,11,12)(H,13,14)
InChIKeyDCOKCGSUGZMAHJ-UHFFFAOYSA-N
XLogP0.65
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid?
The IUPAC name of 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid (CID 152755757) is 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid is Cc1oc(C)c(C(=O)O)c(=O)c1C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid?
The InChIKey is DCOKCGSUGZMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c1-3-5(8(11)12)7(10)6(9(13)14)4(2)15-3/h1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid?
2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-oxopyran-3,5-dicarboxylic acid is sourced from PubChem (CID 152755757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).