4-Ethyl-2(5H)-furanone

C6H8O2 — CID 12224251

IUPAC3-ethyl-2H-furan-5-one
SMILESCCC1=CC(=O)OC1
InChIInChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h3H,2,4H2,1H3
InChIKeyBJKFTSQAYAXFKY-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.60
Rot. Bonds1

About 4-Ethyl-2(5H)-furanone

4-Ethyl-2(5H)-furanone (PubChem CID 12224251) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-ethyl-2H-furan-5-one.

Molecular Properties

Compound Name4-Ethyl-2(5H)-furanone
PubChem CID12224251
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3-ethyl-2H-furan-5-one
SMILESCCC1=CC(=O)OC1
InChIInChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h3H,2,4H2,1H3
InChIKeyBJKFTSQAYAXFKY-UHFFFAOYSA-N
XLogP0.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity135

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3,3-dimethylacrylate
CID 12516
Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
Ethyl 2-methyl-2-pentenoate, (2E)-
CID 6436311
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
Ethyl pent-2-enoate
CID 102263
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
CID 6435040
2,3-Anhydromevalonic acid
CID 557445
3,5-Dimethylfuran-2(5H)-one
CID 318158
2-Butenoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
CID 166366
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
CID 5317247
2-Pentenoic acid, 2,4-dimethyl-, ethyl ester, (2E)-
CID 12550535
2(5H)-Furanone, 4-methyl-
CID 145832

Frequently Asked Questions

What is the IUPAC name of 4-Ethyl-2(5H)-furanone?
The IUPAC name of 4-Ethyl-2(5H)-furanone (CID 12224251) is 3-ethyl-2H-furan-5-one.
What is the SMILES notation for 4-Ethyl-2(5H)-furanone?
The canonical SMILES for 4-Ethyl-2(5H)-furanone is CCC1=CC(=O)OC1.
What is the InChIKey of 4-Ethyl-2(5H)-furanone?
The InChIKey is BJKFTSQAYAXFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h3H,2,4H2,1H3.
What are the key properties of 4-Ethyl-2(5H)-furanone?
4-Ethyl-2(5H)-furanone has a molecular weight of 112.13 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethyl-2(5H)-furanone is sourced from PubChem (CID 12224251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).