5-methoxy-2-(methoxymethyl)pyran-4-one

C8H10O4 — CID 3252046

IUPAC5-methoxy-2-(methoxymethyl)pyran-4-one
SMILESCOCc1cc(=O)c(OC)co1
InChIInChI=1S/C8H10O4/c1-10-4-6-3-7(9)8(11-2)5-12-6/h3,5H,4H2,1-2H3
InChIKeyXOZREIXAQFKCKP-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.79
Rot. Bonds3

About 5-methoxy-2-(methoxymethyl)pyran-4-one

5-methoxy-2-(methoxymethyl)pyran-4-one (PubChem CID 3252046) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-methoxy-2-(methoxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(methoxymethyl)pyran-4-one
PubChem CID3252046
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-methoxy-2-(methoxymethyl)pyran-4-one
SMILESCOCc1cc(=O)c(OC)co1
InChIInChI=1S/C8H10O4/c1-10-4-6-3-7(9)8(11-2)5-12-6/h3,5H,4H2,1-2H3
InChIKeyXOZREIXAQFKCKP-UHFFFAOYSA-N
XLogP0.79
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(methoxymethyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(methoxymethyl)pyran-4-one (CID 3252046) is 5-methoxy-2-(methoxymethyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(methoxymethyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(methoxymethyl)pyran-4-one is COCc1cc(=O)c(OC)co1.
What is the InChIKey of 5-methoxy-2-(methoxymethyl)pyran-4-one?
The InChIKey is XOZREIXAQFKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-10-4-6-3-7(9)8(11-2)5-12-6/h3,5H,4H2,1-2H3.
What are the key properties of 5-methoxy-2-(methoxymethyl)pyran-4-one?
5-methoxy-2-(methoxymethyl)pyran-4-one has a molecular weight of 170.16 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(methoxymethyl)pyran-4-one is sourced from PubChem (CID 3252046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).