2,6-diethyl-3,5-dimethylpyran-4-one

C11H16O2 — CID 601730

IUPAC2,6-diethyl-3,5-dimethylpyran-4-one
SMILESCCc1oc(CC)c(C)c(=O)c1C
InChIInChI=1S/C11H16O2/c1-5-9-7(3)11(12)8(4)10(6-2)13-9/h5-6H2,1-4H3
InChIKeyZEIKNCDRPCIWJZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.38
Rot. Bonds2

About 2,6-diethyl-3,5-dimethylpyran-4-one

2,6-diethyl-3,5-dimethylpyran-4-one (PubChem CID 601730) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,6-diethyl-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2,6-diethyl-3,5-dimethylpyran-4-one
PubChem CID601730
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,6-diethyl-3,5-dimethylpyran-4-one
SMILESCCc1oc(CC)c(C)c(=O)c1C
InChIInChI=1S/C11H16O2/c1-5-9-7(3)11(12)8(4)10(6-2)13-9/h5-6H2,1-4H3
InChIKeyZEIKNCDRPCIWJZ-UHFFFAOYSA-N
XLogP2.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3,5-dimethylpyran-4-one?
The IUPAC name of 2,6-diethyl-3,5-dimethylpyran-4-one (CID 601730) is 2,6-diethyl-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2,6-diethyl-3,5-dimethylpyran-4-one?
The canonical SMILES for 2,6-diethyl-3,5-dimethylpyran-4-one is CCc1oc(CC)c(C)c(=O)c1C.
What is the InChIKey of 2,6-diethyl-3,5-dimethylpyran-4-one?
The InChIKey is ZEIKNCDRPCIWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9-7(3)11(12)8(4)10(6-2)13-9/h5-6H2,1-4H3.
What are the key properties of 2,6-diethyl-3,5-dimethylpyran-4-one?
2,6-diethyl-3,5-dimethylpyran-4-one has a molecular weight of 180.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3,5-dimethylpyran-4-one is sourced from PubChem (CID 601730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).