4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one

C11H14O4 — CID 139588657

IUPAC4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one
SMILESCCC(=O)Cc1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H14O4/c1-4-8(12)5-9-7(2)15-11(13)6-10(9)14-3/h6H,4-5H2,1-3H3
InChIKeyAHVILCCYCWMTDY-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.48
Rot. Bonds4

About 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one

4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one (PubChem CID 139588657) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one
PubChem CID139588657
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one
SMILESCCC(=O)Cc1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H14O4/c1-4-8(12)5-9-7(2)15-11(13)6-10(9)14-3/h6H,4-5H2,1-3H3
InChIKeyAHVILCCYCWMTDY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one?
The IUPAC name of 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one (CID 139588657) is 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one is CCC(=O)Cc1c(OC)cc(=O)oc1C.
What is the InChIKey of 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one?
The InChIKey is AHVILCCYCWMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-8(12)5-9-7(2)15-11(13)6-10(9)14-3/h6H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one?
4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-(2-oxobutyl)pyran-2-one is sourced from PubChem (CID 139588657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).