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

C9H12O3 — CID 13319282

IUPAC5-ethyl-4-methoxy-6-methylpyran-2-one
SMILESCCc1c(OC)cc(=O)oc1C
InChIInChI=1S/C9H12O3/c1-4-7-6(2)12-9(10)5-8(7)11-3/h5H,4H2,1-3H3
InChIKeyOQPFDUQISZRPAU-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.52
Rot. Bonds2

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

5-ethyl-4-methoxy-6-methylpyran-2-one (PubChem CID 13319282) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-ethyl-4-methoxy-6-methylpyran-2-one.

Molecular Properties

Compound Name5-ethyl-4-methoxy-6-methylpyran-2-one
PubChem CID13319282
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-ethyl-4-methoxy-6-methylpyran-2-one
SMILESCCc1c(OC)cc(=O)oc1C
InChIInChI=1S/C9H12O3/c1-4-7-6(2)12-9(10)5-8(7)11-3/h5H,4H2,1-3H3
InChIKeyOQPFDUQISZRPAU-UHFFFAOYSA-N
XLogP1.52
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mesitene lactone
CID 12662
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
CID 13051
Bovolide
CID 6433214
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Nectriapyrone
CID 5358550
Pyrenocine A
CID 6312351
Kava
CID 5281052
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Placidene C
CID 11481458
Nigerapyrone C
CID 53493728

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxy-6-methylpyran-2-one?
The IUPAC name of 5-ethyl-4-methoxy-6-methylpyran-2-one (CID 13319282) is 5-ethyl-4-methoxy-6-methylpyran-2-one.
What is the SMILES notation for 5-ethyl-4-methoxy-6-methylpyran-2-one?
The canonical SMILES for 5-ethyl-4-methoxy-6-methylpyran-2-one is CCc1c(OC)cc(=O)oc1C.
What is the InChIKey of 5-ethyl-4-methoxy-6-methylpyran-2-one?
The InChIKey is OQPFDUQISZRPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-4-7-6(2)12-9(10)5-8(7)11-3/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-methoxy-6-methylpyran-2-one?
5-ethyl-4-methoxy-6-methylpyran-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxy-6-methylpyran-2-one is sourced from PubChem (CID 13319282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).