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

C9H10O4 — CID 15172623

IUPAC6-acetyl-4-methoxy-3-methylpyran-2-one
SMILESCOc1cc(C(C)=O)oc(=O)c1C
InChIInChI=1S/C9H10O4/c1-5-7(12-3)4-8(6(2)10)13-9(5)11/h4H,1-3H3
InChIKeyQQJOLODYQMTUJN-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.16
Rot. Bonds2

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

6-acetyl-4-methoxy-3-methylpyran-2-one (PubChem CID 15172623) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 6-acetyl-4-methoxy-3-methylpyran-2-one.

Molecular Properties

Compound Name6-acetyl-4-methoxy-3-methylpyran-2-one
PubChem CID15172623
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name6-acetyl-4-methoxy-3-methylpyran-2-one
SMILESCOc1cc(C(C)=O)oc(=O)c1C
InChIInChI=1S/C9H10O4/c1-5-7(12-3)4-8(6(2)10)13-9(5)11/h4H,1-3H3
InChIKeyQQJOLODYQMTUJN-UHFFFAOYSA-N
XLogP1.16
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nectriapyrone
CID 5358550
Diethyl 2-[(5-methoxy-4-oxopyran-2-yl)methylidene]propanedioate
CID 1811924
Nigerapyrone D
CID 53483953
Nigerapyrone E
CID 53483954
Nigerapyrone C
CID 53493728
Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
CID 830685
6-Acetyl-3-methylpyran-2-one
CID 10080571
Ifhbfwlmlspism-fkjilziqsa-
CID 11368654
Nocapyrone F
CID 53345950
Shjhziupbjkxfy-kzzdlznxsa-
CID 21727788
methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-methoxy-3-methylpyran-2-one?
The IUPAC name of 6-acetyl-4-methoxy-3-methylpyran-2-one (CID 15172623) is 6-acetyl-4-methoxy-3-methylpyran-2-one.
What is the SMILES notation for 6-acetyl-4-methoxy-3-methylpyran-2-one?
The canonical SMILES for 6-acetyl-4-methoxy-3-methylpyran-2-one is COc1cc(C(C)=O)oc(=O)c1C.
What is the InChIKey of 6-acetyl-4-methoxy-3-methylpyran-2-one?
The InChIKey is QQJOLODYQMTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-7(12-3)4-8(6(2)10)13-9(5)11/h4H,1-3H3.
What are the key properties of 6-acetyl-4-methoxy-3-methylpyran-2-one?
6-acetyl-4-methoxy-3-methylpyran-2-one has a molecular weight of 182.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-methoxy-3-methylpyran-2-one is sourced from PubChem (CID 15172623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).