3-ethyl-4-hydroxy-6-methylpyran-2-one

C8H10O3 — CID 54695810

IUPAC3-ethyl-4-hydroxy-6-methylpyran-2-one
SMILESCCc1c(O)cc(C)oc1=O
InChIInChI=1S/C8H10O3/c1-3-6-7(9)4-5(2)11-8(6)10/h4,9H,3H2,1-2H3
InChIKeyNDACCGSRVFSONF-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.22
Rot. Bonds1

About 3-ethyl-4-hydroxy-6-methylpyran-2-one

3-ethyl-4-hydroxy-6-methylpyran-2-one (PubChem CID 54695810) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-6-methylpyran-2-one
PubChem CID54695810
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-ethyl-4-hydroxy-6-methylpyran-2-one
SMILESCCc1c(O)cc(C)oc1=O
InChIInChI=1S/C8H10O3/c1-3-6-7(9)4-5(2)11-8(6)10/h4,9H,3H2,1-2H3
InChIKeyNDACCGSRVFSONF-UHFFFAOYSA-N
XLogP1.22
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-6-methylpyran-2-one (CID 54695810) is 3-ethyl-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-6-methylpyran-2-one is CCc1c(O)cc(C)oc1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-6-methylpyran-2-one?
The InChIKey is NDACCGSRVFSONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-6-7(9)4-5(2)11-8(6)10/h4,9H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxy-6-methylpyran-2-one?
3-ethyl-4-hydroxy-6-methylpyran-2-one has a molecular weight of 154.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 54695810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).