6-methoxypyran-2,5-dione

C6H6O4 — CID 86145415

IUPAC6-methoxypyran-2,5-dione
SMILESCOC1OC(=O)C=CC1=O
InChIInChI=1S/C6H6O4/c1-9-6-4(7)2-3-5(8)10-6/h2-3,6H,1H3
InChIKeyABBFIKHDRZNLKR-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.36
Rot. Bonds1

About 6-methoxypyran-2,5-dione

6-methoxypyran-2,5-dione (PubChem CID 86145415) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 6-methoxypyran-2,5-dione.

Molecular Properties

Compound Name6-methoxypyran-2,5-dione
PubChem CID86145415
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name6-methoxypyran-2,5-dione
SMILESCOC1OC(=O)C=CC1=O
InChIInChI=1S/C6H6O4/c1-9-6-4(7)2-3-5(8)10-6/h2-3,6H,1H3
InChIKeyABBFIKHDRZNLKR-UHFFFAOYSA-N
XLogP-0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxypyran-2,5-dione 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 6-methoxypyran-2,5-dione?
The IUPAC name of 6-methoxypyran-2,5-dione (CID 86145415) is 6-methoxypyran-2,5-dione.
What is the SMILES notation for 6-methoxypyran-2,5-dione?
The canonical SMILES for 6-methoxypyran-2,5-dione is COC1OC(=O)C=CC1=O.
What is the InChIKey of 6-methoxypyran-2,5-dione?
The InChIKey is ABBFIKHDRZNLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-9-6-4(7)2-3-5(8)10-6/h2-3,6H,1H3.
What are the key properties of 6-methoxypyran-2,5-dione?
6-methoxypyran-2,5-dione has a molecular weight of 142.11 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyran-2,5-dione is sourced from PubChem (CID 86145415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).