4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one

C11H14O4 — CID 102367320

IUPAC4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one
SMILESCOc1cc(=O)oc(C)c1CCC(C)=O
InChIInChI=1S/C11H14O4/c1-7(12)4-5-9-8(2)15-11(13)6-10(9)14-3/h6H,4-5H2,1-3H3
InChIKeySPHSLZLAACRRDR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.48
Rot. Bonds4

About 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one

4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one (PubChem CID 102367320) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one
PubChem CID102367320
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one
SMILESCOc1cc(=O)oc(C)c1CCC(C)=O
InChIInChI=1S/C11H14O4/c1-7(12)4-5-9-8(2)15-11(13)6-10(9)14-3/h6H,4-5H2,1-3H3
InChIKeySPHSLZLAACRRDR-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-(3-oxobutyl)pyran-2-one?
The IUPAC name of 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one (CID 102367320) is 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one is COc1cc(=O)oc(C)c1CCC(C)=O.
What is the InChIKey of 4-methoxy-6-methyl-5-(3-oxobutyl)pyran-2-one?
The InChIKey is SPHSLZLAACRRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(12)4-5-9-8(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-(3-oxobutyl)pyran-2-one?
4-methoxy-6-methyl-5-(3-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-(3-oxobutyl)pyran-2-one is sourced from PubChem (CID 102367320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).