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

Analyze 2,6-diethyl-3,5-dimethylpyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Duroquinone
CID 68238
(+)-Penicilliode C
CID 146682837
(-)-Isopenicilliode C
CID 146682838
2,3,6-trimethyl-4H-pyran-4-one
CID 13348271
4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-
CID 549211
2,3-Diethyl-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 13351147
2,3,5,6-Tetramethylpyran-4-one
CID 11804961
2,3,5-Trimethyl-6-(3-oxobutan-2-yl)-4h-pyran-4-one
CID 101788776
2-Ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one
CID 102383326
2,6-Diethyl-3,5-dipropyl-pyran-4-one
CID 17974855
3,5-Diethyl-2,6-dipropylpyran-4-one
CID 20564045
6-Tert-butyl-2,3-dimethylpyran-4-one
CID 21218552

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).