5-ethyl-2-methylfuran-3-one

C7H10O2 — CID 10855454

IUPAC5-ethyl-2-methylfuran-3-one
SMILESCCC1=CC(=O)C(C)O1
InChIInChI=1S/C7H10O2/c1-3-6-4-7(8)5(2)9-6/h4-5H,3H2,1-2H3
InChIKeySKJNEYSTLJSDDX-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

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

5-ethyl-2-methylfuran-3-one (PubChem CID 10855454) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-ethyl-2-methylfuran-3-one.

Molecular Properties

Compound Name5-ethyl-2-methylfuran-3-one
PubChem CID10855454
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-ethyl-2-methylfuran-3-one
SMILESCCC1=CC(=O)C(C)O1
InChIInChI=1S/C7H10O2/c1-3-6-4-7(8)5(2)9-6/h4-5H,3H2,1-2H3
InChIKeySKJNEYSTLJSDDX-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylfuran-3-one?
The IUPAC name of 5-ethyl-2-methylfuran-3-one (CID 10855454) is 5-ethyl-2-methylfuran-3-one.
What is the SMILES notation for 5-ethyl-2-methylfuran-3-one?
The canonical SMILES for 5-ethyl-2-methylfuran-3-one is CCC1=CC(=O)C(C)O1.
What is the InChIKey of 5-ethyl-2-methylfuran-3-one?
The InChIKey is SKJNEYSTLJSDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-6-4-7(8)5(2)9-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methylfuran-3-one?
5-ethyl-2-methylfuran-3-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylfuran-3-one is sourced from PubChem (CID 10855454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).