4-methoxy-2,3-dihydropyran-6-one

C6H8O3 — CID 15086343

IUPAC4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OCC1
InChIInChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3
InChIKeyMEZHTUKDGVTUCD-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds1

About 4-methoxy-2,3-dihydropyran-6-one

4-methoxy-2,3-dihydropyran-6-one (PubChem CID 15086343) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-2,3-dihydropyran-6-one
PubChem CID15086343
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-methoxy-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OCC1
InChIInChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3
InChIKeyMEZHTUKDGVTUCD-UHFFFAOYSA-N
XLogP0.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-2,3-dihydropyran-6-one (CID 15086343) is 4-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)OCC1.
What is the InChIKey of 4-methoxy-2,3-dihydropyran-6-one?
The InChIKey is MEZHTUKDGVTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3.
What are the key properties of 4-methoxy-2,3-dihydropyran-6-one?
4-methoxy-2,3-dihydropyran-6-one has a molecular weight of 128.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 15086343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).