2-ethyl-6-methylpyran-4-one

C8H10O2 — CID 586650

IUPAC2-ethyl-6-methylpyran-4-one
SMILESCCc1cc(=O)cc(C)o1
InChIInChI=1S/C8H10O2/c1-3-8-5-7(9)4-6(2)10-8/h4-5H,3H2,1-2H3
InChIKeyNMRHPBSBNRARIR-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.51
Rot. Bonds1

About 2-ethyl-6-methylpyran-4-one

2-ethyl-6-methylpyran-4-one (PubChem CID 586650) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethyl-6-methylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-6-methylpyran-4-one
PubChem CID586650
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethyl-6-methylpyran-4-one
SMILESCCc1cc(=O)cc(C)o1
InChIInChI=1S/C8H10O2/c1-3-8-5-7(9)4-6(2)10-8/h4-5H,3H2,1-2H3
InChIKeyNMRHPBSBNRARIR-UHFFFAOYSA-N
XLogP1.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylpyran-4-one?
The IUPAC name of 2-ethyl-6-methylpyran-4-one (CID 586650) is 2-ethyl-6-methylpyran-4-one.
What is the SMILES notation for 2-ethyl-6-methylpyran-4-one?
The canonical SMILES for 2-ethyl-6-methylpyran-4-one is CCc1cc(=O)cc(C)o1.
What is the InChIKey of 2-ethyl-6-methylpyran-4-one?
The InChIKey is NMRHPBSBNRARIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-8-5-7(9)4-6(2)10-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methylpyran-4-one?
2-ethyl-6-methylpyran-4-one has a molecular weight of 138.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylpyran-4-one is sourced from PubChem (CID 586650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).