3,4,5,6-tetraethylpyran-2-one

C13H20O2 — CID 11769706

IUPAC3,4,5,6-tetraethylpyran-2-one
SMILESCCc1oc(=O)c(CC)c(CC)c1CC
InChIInChI=1S/C13H20O2/c1-5-9-10(6-2)12(8-4)15-13(14)11(9)7-3/h5-8H2,1-4H3
InChIKeySONRUEUTRXLJKL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds4

About 3,4,5,6-tetraethylpyran-2-one

3,4,5,6-tetraethylpyran-2-one (PubChem CID 11769706) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,4,5,6-tetraethylpyran-2-one.

Molecular Properties

Compound Name3,4,5,6-tetraethylpyran-2-one
PubChem CID11769706
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4,5,6-tetraethylpyran-2-one
SMILESCCc1oc(=O)c(CC)c(CC)c1CC
InChIInChI=1S/C13H20O2/c1-5-9-10(6-2)12(8-4)15-13(14)11(9)7-3/h5-8H2,1-4H3
InChIKeySONRUEUTRXLJKL-UHFFFAOYSA-N
XLogP2.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetraethylpyran-2-one?
The IUPAC name of 3,4,5,6-tetraethylpyran-2-one (CID 11769706) is 3,4,5,6-tetraethylpyran-2-one.
What is the SMILES notation for 3,4,5,6-tetraethylpyran-2-one?
The canonical SMILES for 3,4,5,6-tetraethylpyran-2-one is CCc1oc(=O)c(CC)c(CC)c1CC.
What is the InChIKey of 3,4,5,6-tetraethylpyran-2-one?
The InChIKey is SONRUEUTRXLJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-9-10(6-2)12(8-4)15-13(14)11(9)7-3/h5-8H2,1-4H3.
What are the key properties of 3,4,5,6-tetraethylpyran-2-one?
3,4,5,6-tetraethylpyran-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetraethylpyran-2-one is sourced from PubChem (CID 11769706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).