3-ethyl-3,5-dimethylfuran-2-one

C8H12O2 — CID 58210492

IUPAC3-ethyl-3,5-dimethylfuran-2-one
SMILESCCC1(C)C=C(C)OC1=O
InChIInChI=1S/C8H12O2/c1-4-8(3)5-6(2)10-7(8)9/h5H,4H2,1-3H3
InChIKeyTZXBNHZHYQSFNR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.86
Rot. Bonds1

About 3-ethyl-3,5-dimethylfuran-2-one

3-ethyl-3,5-dimethylfuran-2-one (PubChem CID 58210492) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethyl-3,5-dimethylfuran-2-one.

Molecular Properties

Compound Name3-ethyl-3,5-dimethylfuran-2-one
PubChem CID58210492
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethyl-3,5-dimethylfuran-2-one
SMILESCCC1(C)C=C(C)OC1=O
InChIInChI=1S/C8H12O2/c1-4-8(3)5-6(2)10-7(8)9/h5H,4H2,1-3H3
InChIKeyTZXBNHZHYQSFNR-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5-dimethylfuran-2-one?
The IUPAC name of 3-ethyl-3,5-dimethylfuran-2-one (CID 58210492) is 3-ethyl-3,5-dimethylfuran-2-one.
What is the SMILES notation for 3-ethyl-3,5-dimethylfuran-2-one?
The canonical SMILES for 3-ethyl-3,5-dimethylfuran-2-one is CCC1(C)C=C(C)OC1=O.
What is the InChIKey of 3-ethyl-3,5-dimethylfuran-2-one?
The InChIKey is TZXBNHZHYQSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-8(3)5-6(2)10-7(8)9/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-3,5-dimethylfuran-2-one?
3-ethyl-3,5-dimethylfuran-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5-dimethylfuran-2-one is sourced from PubChem (CID 58210492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).