methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate

C8H10O4 — CID 14878940

IUPACmethyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate
SMILESCOC(=O)C1=CCC(=O)OC1C
InChIInChI=1S/C8H10O4/c1-5-6(8(10)11-2)3-4-7(9)12-5/h3,5H,4H2,1-2H3
InChIKeyPUKVRYMUPGKLKA-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds1

About methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate

methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate (PubChem CID 14878940) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate
PubChem CID14878940
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate
SMILESCOC(=O)C1=CCC(=O)OC1C
InChIInChI=1S/C8H10O4/c1-5-6(8(10)11-2)3-4-7(9)12-5/h3,5H,4H2,1-2H3
InChIKeyPUKVRYMUPGKLKA-UHFFFAOYSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-6-oxo-2,5-dihydropyran-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 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate (CID 14878940) is methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate is COC(=O)C1=CCC(=O)OC1C.
What is the InChIKey of methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate?
The InChIKey is PUKVRYMUPGKLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-6(8(10)11-2)3-4-7(9)12-5/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate?
methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-oxo-2,5-dihydropyran-3-carboxylate is sourced from PubChem (CID 14878940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).