5-ethyl-4,5-dimethylfuran-2-one

C8H12O2 — CID 15587440

IUPAC5-ethyl-4,5-dimethylfuran-2-one
SMILESCCC1(C)OC(=O)C=C1C
InChIInChI=1S/C8H12O2/c1-4-8(3)6(2)5-7(9)10-8/h5H,4H2,1-3H3
InChIKeyKMUFUYFONUFKBX-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About 5-ethyl-4,5-dimethylfuran-2-one

5-ethyl-4,5-dimethylfuran-2-one (PubChem CID 15587440) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-ethyl-4,5-dimethylfuran-2-one.

Molecular Properties

Compound Name5-ethyl-4,5-dimethylfuran-2-one
PubChem CID15587440
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-ethyl-4,5-dimethylfuran-2-one
SMILESCCC1(C)OC(=O)C=C1C
InChIInChI=1S/C8H12O2/c1-4-8(3)6(2)5-7(9)10-8/h5H,4H2,1-3H3
InChIKeyKMUFUYFONUFKBX-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5-dimethylfuran-2-one?
The IUPAC name of 5-ethyl-4,5-dimethylfuran-2-one (CID 15587440) is 5-ethyl-4,5-dimethylfuran-2-one.
What is the SMILES notation for 5-ethyl-4,5-dimethylfuran-2-one?
The canonical SMILES for 5-ethyl-4,5-dimethylfuran-2-one is CCC1(C)OC(=O)C=C1C.
What is the InChIKey of 5-ethyl-4,5-dimethylfuran-2-one?
The InChIKey is KMUFUYFONUFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-8(3)6(2)5-7(9)10-8/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-4,5-dimethylfuran-2-one?
5-ethyl-4,5-dimethylfuran-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5-dimethylfuran-2-one is sourced from PubChem (CID 15587440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).