4-ethoxy-2-ethyl-5-methylfuran-3-one

C9H14O3 — CID 21465668

IUPAC4-ethoxy-2-ethyl-5-methylfuran-3-one
SMILESCCOC1=C(C)OC(CC)C1=O
InChIInChI=1S/C9H14O3/c1-4-7-8(10)9(11-5-2)6(3)12-7/h7H,4-5H2,1-3H3
InChIKeyKXXTURXUVJRFRJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds3

About 4-ethoxy-2-ethyl-5-methylfuran-3-one

4-ethoxy-2-ethyl-5-methylfuran-3-one (PubChem CID 21465668) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-5-methylfuran-3-one.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-5-methylfuran-3-one
PubChem CID21465668
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-ethoxy-2-ethyl-5-methylfuran-3-one
SMILESCCOC1=C(C)OC(CC)C1=O
InChIInChI=1S/C9H14O3/c1-4-7-8(10)9(11-5-2)6(3)12-7/h7H,4-5H2,1-3H3
InChIKeyKXXTURXUVJRFRJ-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-5-methylfuran-3-one?
The IUPAC name of 4-ethoxy-2-ethyl-5-methylfuran-3-one (CID 21465668) is 4-ethoxy-2-ethyl-5-methylfuran-3-one.
What is the SMILES notation for 4-ethoxy-2-ethyl-5-methylfuran-3-one?
The canonical SMILES for 4-ethoxy-2-ethyl-5-methylfuran-3-one is CCOC1=C(C)OC(CC)C1=O.
What is the InChIKey of 4-ethoxy-2-ethyl-5-methylfuran-3-one?
The InChIKey is KXXTURXUVJRFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-7-8(10)9(11-5-2)6(3)12-7/h7H,4-5H2,1-3H3.
What are the key properties of 4-ethoxy-2-ethyl-5-methylfuran-3-one?
4-ethoxy-2-ethyl-5-methylfuran-3-one has a molecular weight of 170.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-5-methylfuran-3-one is sourced from PubChem (CID 21465668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).