2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one

C11H18O2 — CID 13391759

IUPAC2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)C(C)C(CC)O1
InChIInChI=1S/C11H18O2/c1-5-9-7(3)11(12)8(4)10(6-2)13-9/h7,9H,5-6H2,1-4H3
InChIKeyFSEPIDNYRYUFOZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one

2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 13391759) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID13391759
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)C(C)C(CC)O1
InChIInChI=1S/C11H18O2/c1-5-9-7(3)11(12)8(4)10(6-2)13-9/h7,9H,5-6H2,1-4H3
InChIKeyFSEPIDNYRYUFOZ-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
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-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one (CID 13391759) is 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one is CCC1=C(C)C(=O)C(C)C(CC)O1.
What is the InChIKey of 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is FSEPIDNYRYUFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-9-7(3)11(12)8(4)10(6-2)13-9/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one?
2,6-diethyl-3,5-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.68, 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-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13391759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).