2-ethoxy-6-methyl-2H-pyran-5-one

C8H12O3 — CID 14547108

IUPAC2-ethoxy-6-methyl-2H-pyran-5-one
SMILESCCOC1C=CC(=O)C(C)O1
InChIInChI=1S/C8H12O3/c1-3-10-8-5-4-7(9)6(2)11-8/h4-6,8H,3H2,1-2H3
InChIKeyRZZDSHGXUWNGAV-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 2-ethoxy-6-methyl-2H-pyran-5-one

2-ethoxy-6-methyl-2H-pyran-5-one (PubChem CID 14547108) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-ethoxy-6-methyl-2H-pyran-5-one
PubChem CID14547108
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-ethoxy-6-methyl-2H-pyran-5-one
SMILESCCOC1C=CC(=O)C(C)O1
InChIInChI=1S/C8H12O3/c1-3-10-8-5-4-7(9)6(2)11-8/h4-6,8H,3H2,1-2H3
InChIKeyRZZDSHGXUWNGAV-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-2H-pyran-5-one?
The IUPAC name of 2-ethoxy-6-methyl-2H-pyran-5-one (CID 14547108) is 2-ethoxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-ethoxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for 2-ethoxy-6-methyl-2H-pyran-5-one is CCOC1C=CC(=O)C(C)O1.
What is the InChIKey of 2-ethoxy-6-methyl-2H-pyran-5-one?
The InChIKey is RZZDSHGXUWNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-10-8-5-4-7(9)6(2)11-8/h4-6,8H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-methyl-2H-pyran-5-one?
2-ethoxy-6-methyl-2H-pyran-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 14547108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).