5-butanoyl-4-methoxy-6-methylpyran-2-one

C11H14O4 — CID 71524172

IUPAC5-butanoyl-4-methoxy-6-methylpyran-2-one
SMILESCCCC(=O)c1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H14O4/c1-4-5-8(12)11-7(2)15-10(13)6-9(11)14-3/h6H,4-5H2,1-3H3
InChIKeyYPMMHAXYNGIZPB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.94
Rot. Bonds4

About 5-butanoyl-4-methoxy-6-methylpyran-2-one

5-butanoyl-4-methoxy-6-methylpyran-2-one (PubChem CID 71524172) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-butanoyl-4-methoxy-6-methylpyran-2-one.

Molecular Properties

Compound Name5-butanoyl-4-methoxy-6-methylpyran-2-one
PubChem CID71524172
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5-butanoyl-4-methoxy-6-methylpyran-2-one
SMILESCCCC(=O)c1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H14O4/c1-4-5-8(12)11-7(2)15-10(13)6-9(11)14-3/h6H,4-5H2,1-3H3
InChIKeyYPMMHAXYNGIZPB-UHFFFAOYSA-N
XLogP1.94
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-4-methoxy-6-methylpyran-2-one?
The IUPAC name of 5-butanoyl-4-methoxy-6-methylpyran-2-one (CID 71524172) is 5-butanoyl-4-methoxy-6-methylpyran-2-one.
What is the SMILES notation for 5-butanoyl-4-methoxy-6-methylpyran-2-one?
The canonical SMILES for 5-butanoyl-4-methoxy-6-methylpyran-2-one is CCCC(=O)c1c(OC)cc(=O)oc1C.
What is the InChIKey of 5-butanoyl-4-methoxy-6-methylpyran-2-one?
The InChIKey is YPMMHAXYNGIZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-5-8(12)11-7(2)15-10(13)6-9(11)14-3/h6H,4-5H2,1-3H3.
What are the key properties of 5-butanoyl-4-methoxy-6-methylpyran-2-one?
5-butanoyl-4-methoxy-6-methylpyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-4-methoxy-6-methylpyran-2-one is sourced from PubChem (CID 71524172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).