2-ethyl-5-methoxypyran-4-one

C8H10O3 — CID 130030265

IUPAC2-ethyl-5-methoxypyran-4-one
SMILESCCc1cc(=O)c(OC)co1
InChIInChI=1S/C8H10O3/c1-3-6-4-7(9)8(10-2)5-11-6/h4-5H,3H2,1-2H3
InChIKeyRRKIVGAWFLQNJT-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.21
Rot. Bonds2

About 2-ethyl-5-methoxypyran-4-one

2-ethyl-5-methoxypyran-4-one (PubChem CID 130030265) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-ethyl-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-ethyl-5-methoxypyran-4-one
PubChem CID130030265
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-ethyl-5-methoxypyran-4-one
SMILESCCc1cc(=O)c(OC)co1
InChIInChI=1S/C8H10O3/c1-3-6-4-7(9)8(10-2)5-11-6/h4-5H,3H2,1-2H3
InChIKeyRRKIVGAWFLQNJT-UHFFFAOYSA-N
XLogP1.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methoxypyran-4-one?
The IUPAC name of 2-ethyl-5-methoxypyran-4-one (CID 130030265) is 2-ethyl-5-methoxypyran-4-one.
What is the SMILES notation for 2-ethyl-5-methoxypyran-4-one?
The canonical SMILES for 2-ethyl-5-methoxypyran-4-one is CCc1cc(=O)c(OC)co1.
What is the InChIKey of 2-ethyl-5-methoxypyran-4-one?
The InChIKey is RRKIVGAWFLQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-6-4-7(9)8(10-2)5-11-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methoxypyran-4-one?
2-ethyl-5-methoxypyran-4-one has a molecular weight of 154.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxypyran-4-one is sourced from PubChem (CID 130030265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).