5-acetyl-4,6-dimethylpyran-2-one

C9H10O3 — CID 24770184

IUPAC5-acetyl-4,6-dimethylpyran-2-one
SMILESCC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C9H10O3/c1-5-4-8(11)12-7(3)9(5)6(2)10/h4H,1-3H3
InChIKeyFTVGJCJYJSQCTA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.46
Rot. Bonds1

About 5-acetyl-4,6-dimethylpyran-2-one

5-acetyl-4,6-dimethylpyran-2-one (PubChem CID 24770184) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-acetyl-4,6-dimethylpyran-2-one.

Molecular Properties

Compound Name5-acetyl-4,6-dimethylpyran-2-one
PubChem CID24770184
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name5-acetyl-4,6-dimethylpyran-2-one
SMILESCC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C9H10O3/c1-5-4-8(11)12-7(3)9(5)6(2)10/h4H,1-3H3
InChIKeyFTVGJCJYJSQCTA-UHFFFAOYSA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5319022
Mesitene lactone
CID 12662
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
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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
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
Fumigermin
CID 54717357
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Nigerapyrone D
CID 53483953

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4,6-dimethylpyran-2-one?
The IUPAC name of 5-acetyl-4,6-dimethylpyran-2-one (CID 24770184) is 5-acetyl-4,6-dimethylpyran-2-one.
What is the SMILES notation for 5-acetyl-4,6-dimethylpyran-2-one?
The canonical SMILES for 5-acetyl-4,6-dimethylpyran-2-one is CC(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of 5-acetyl-4,6-dimethylpyran-2-one?
The InChIKey is FTVGJCJYJSQCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-5-4-8(11)12-7(3)9(5)6(2)10/h4H,1-3H3.
What are the key properties of 5-acetyl-4,6-dimethylpyran-2-one?
5-acetyl-4,6-dimethylpyran-2-one has a molecular weight of 166.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4,6-dimethylpyran-2-one is sourced from PubChem (CID 24770184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).