6-ethyl-4-methoxy-3-methylpyran-2-one

C9H12O3 — CID 10464705

IUPAC6-ethyl-4-methoxy-3-methylpyran-2-one
SMILESCCc1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C9H12O3/c1-4-7-5-8(11-3)6(2)9(10)12-7/h5H,4H2,1-3H3
InChIKeyHNMQDFMUEKXHGH-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.52
Rot. Bonds2

About 6-ethyl-4-methoxy-3-methylpyran-2-one

6-ethyl-4-methoxy-3-methylpyran-2-one (PubChem CID 10464705) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 6-ethyl-4-methoxy-3-methylpyran-2-one.

Molecular Properties

Compound Name6-ethyl-4-methoxy-3-methylpyran-2-one
PubChem CID10464705
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name6-ethyl-4-methoxy-3-methylpyran-2-one
SMILESCCc1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C9H12O3/c1-4-7-5-8(11-3)6(2)9(10)12-7/h5H,4H2,1-3H3
InChIKeyHNMQDFMUEKXHGH-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
Fumigermin
CID 54717357
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Placidene C
CID 11481458
Nigerapyrone D
CID 53483953

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methoxy-3-methylpyran-2-one?
The IUPAC name of 6-ethyl-4-methoxy-3-methylpyran-2-one (CID 10464705) is 6-ethyl-4-methoxy-3-methylpyran-2-one.
What is the SMILES notation for 6-ethyl-4-methoxy-3-methylpyran-2-one?
The canonical SMILES for 6-ethyl-4-methoxy-3-methylpyran-2-one is CCc1cc(OC)c(C)c(=O)o1.
What is the InChIKey of 6-ethyl-4-methoxy-3-methylpyran-2-one?
The InChIKey is HNMQDFMUEKXHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-4-7-5-8(11-3)6(2)9(10)12-7/h5H,4H2,1-3H3.
What are the key properties of 6-ethyl-4-methoxy-3-methylpyran-2-one?
6-ethyl-4-methoxy-3-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 6-ethyl-4-methoxy-3-methylpyran-2-one is sourced from PubChem (CID 10464705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).