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

C11H16O3 — CID 139821659

IUPAC6,6-diethyl-3,4-dimethylpyran-2,5-dione
SMILESCCC1(CC)OC(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H16O3/c1-5-11(6-2)9(12)7(3)8(4)10(13)14-11/h5-6H2,1-4H3
InChIKeyYQCUCJCFGIFNJZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.01
Rot. Bonds2

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

6,6-diethyl-3,4-dimethylpyran-2,5-dione (PubChem CID 139821659) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6,6-diethyl-3,4-dimethylpyran-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-3,4-dimethylpyran-2,5-dione
PubChem CID139821659
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6,6-diethyl-3,4-dimethylpyran-2,5-dione
SMILESCCC1(CC)OC(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H16O3/c1-5-11(6-2)9(12)7(3)8(4)10(13)14-11/h5-6H2,1-4H3
InChIKeyYQCUCJCFGIFNJZ-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2,5-Trimethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 12169751
2,6-Diallyl-2-acetoxy-cyclohexadienon
CID 129630025
2,6-Dimethyl-4-n-propyl-2-acetoxy-cyclohexadienon
CID 129647068
(1,2,3,4,5-Pentamethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134982166
6-Methyl-6-(2-methylpropyl)pyran-2,5-dione
CID 135075805
4-Acetyl-6-methoxy-2,3,5,6-tetramethylcyclohexa-2,4-dien-1-one
CID 155932666
4-Methoxy-2,3,4-trimethylcyclobut-2-en-1-one
CID 10419265
(1,3,4,5-Tetramethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 121001965
(1,2,3,5-Tetramethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 121015968
2,2,4,5-tetramethyl-3H-pyran-6-one
CID 13147256
5-Acetyl-5-(2-methylprop-2-enyl)furan-2-one
CID 89028606
2-ethyl-2,4,5-trimethyl-3H-pyran-6-one
CID 134592731

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-3,4-dimethylpyran-2,5-dione?
The IUPAC name of 6,6-diethyl-3,4-dimethylpyran-2,5-dione (CID 139821659) is 6,6-diethyl-3,4-dimethylpyran-2,5-dione.
What is the SMILES notation for 6,6-diethyl-3,4-dimethylpyran-2,5-dione?
The canonical SMILES for 6,6-diethyl-3,4-dimethylpyran-2,5-dione is CCC1(CC)OC(=O)C(C)=C(C)C1=O.
What is the InChIKey of 6,6-diethyl-3,4-dimethylpyran-2,5-dione?
The InChIKey is YQCUCJCFGIFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-11(6-2)9(12)7(3)8(4)10(13)14-11/h5-6H2,1-4H3.
What are the key properties of 6,6-diethyl-3,4-dimethylpyran-2,5-dione?
6,6-diethyl-3,4-dimethylpyran-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-3,4-dimethylpyran-2,5-dione is sourced from PubChem (CID 139821659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).