methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate

C8H8O5 — CID 54703190

IUPACmethyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate
SMILESCOC(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C8H8O5/c1-4-3-5(9)6(7(10)12-2)8(11)13-4/h3,9H,1-2H3
InChIKeyRKOPXNGYHGGUBH-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.44
Rot. Bonds1

About methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate

methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate (PubChem CID 54703190) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate
PubChem CID54703190
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namemethyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate
SMILESCOC(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C8H8O5/c1-4-3-5(9)6(7(10)12-2)8(11)13-4/h3,9H,1-2H3
InChIKeyRKOPXNGYHGGUBH-UHFFFAOYSA-N
XLogP0.44
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate 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 methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate (CID 54703190) is methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate is COC(=O)c1c(O)cc(C)oc1=O.
What is the InChIKey of methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
The InChIKey is RKOPXNGYHGGUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-4-3-5(9)6(7(10)12-2)8(11)13-4/h3,9H,1-2H3.
What are the key properties of methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate?
methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate has a molecular weight of 184.15 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-methyl-2-oxopyran-3-carboxylate is sourced from PubChem (CID 54703190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).