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

C8H12O3 — CID 3020659

IUPAC2-ethyl-4-methoxy-5-methylfuran-3-one
SMILESCCC1OC(C)=C(OC)C1=O
InChIInChI=1S/C8H12O3/c1-4-6-7(9)8(10-3)5(2)11-6/h6H,4H2,1-3H3
InChIKeyGIIVIXMJDFNNQY-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

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

2-ethyl-4-methoxy-5-methylfuran-3-one (PubChem CID 3020659) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-5-methylfuran-3-one.

Molecular Properties

Compound Name2-ethyl-4-methoxy-5-methylfuran-3-one
PubChem CID3020659
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-ethyl-4-methoxy-5-methylfuran-3-one
SMILESCCC1OC(C)=C(OC)C1=O
InChIInChI=1S/C8H12O3/c1-4-6-7(9)8(10-3)5(2)11-6/h6H,4H2,1-3H3
InChIKeyGIIVIXMJDFNNQY-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-5-methylfuran-3-one?
The IUPAC name of 2-ethyl-4-methoxy-5-methylfuran-3-one (CID 3020659) is 2-ethyl-4-methoxy-5-methylfuran-3-one.
What is the SMILES notation for 2-ethyl-4-methoxy-5-methylfuran-3-one?
The canonical SMILES for 2-ethyl-4-methoxy-5-methylfuran-3-one is CCC1OC(C)=C(OC)C1=O.
What is the InChIKey of 2-ethyl-4-methoxy-5-methylfuran-3-one?
The InChIKey is GIIVIXMJDFNNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-6-7(9)8(10-3)5(2)11-6/h6H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-methoxy-5-methylfuran-3-one?
2-ethyl-4-methoxy-5-methylfuran-3-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-5-methylfuran-3-one is sourced from PubChem (CID 3020659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).