2-acetyl-6-methyl-2H-pyran-5-one

C8H10O3 — CID 20544782

IUPAC2-acetyl-6-methyl-2H-pyran-5-one
SMILESCC(=O)C1C=CC(=O)C(C)O1
InChIInChI=1S/C8H10O3/c1-5(9)8-4-3-7(10)6(2)11-8/h3-4,6,8H,1-2H3
InChIKeyDLHUIEUQWRBLBK-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.49
Rot. Bonds1

About 2-acetyl-6-methyl-2H-pyran-5-one

2-acetyl-6-methyl-2H-pyran-5-one (PubChem CID 20544782) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-acetyl-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-acetyl-6-methyl-2H-pyran-5-one
PubChem CID20544782
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-acetyl-6-methyl-2H-pyran-5-one
SMILESCC(=O)C1C=CC(=O)C(C)O1
InChIInChI=1S/C8H10O3/c1-5(9)8-4-3-7(10)6(2)11-8/h3-4,6,8H,1-2H3
InChIKeyDLHUIEUQWRBLBK-UHFFFAOYSA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-methyl-2H-pyran-5-one?
The IUPAC name of 2-acetyl-6-methyl-2H-pyran-5-one (CID 20544782) is 2-acetyl-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-acetyl-6-methyl-2H-pyran-5-one?
The canonical SMILES for 2-acetyl-6-methyl-2H-pyran-5-one is CC(=O)C1C=CC(=O)C(C)O1.
What is the InChIKey of 2-acetyl-6-methyl-2H-pyran-5-one?
The InChIKey is DLHUIEUQWRBLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(9)8-4-3-7(10)6(2)11-8/h3-4,6,8H,1-2H3.
What are the key properties of 2-acetyl-6-methyl-2H-pyran-5-one?
2-acetyl-6-methyl-2H-pyran-5-one has a molecular weight of 154.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 20544782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).