2-ethoxy-3-ethyl-2H-furan-5-one

C8H12O3 — CID 12864807

IUPAC2-ethoxy-3-ethyl-2H-furan-5-one
SMILESCCOC1OC(=O)C=C1CC
InChIInChI=1S/C8H12O3/c1-3-6-5-7(9)11-8(6)10-4-2/h5,8H,3-4H2,1-2H3
InChIKeyWEOVTVKKMISQLD-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds3

About 2-ethoxy-3-ethyl-2H-furan-5-one

2-ethoxy-3-ethyl-2H-furan-5-one (PubChem CID 12864807) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-2H-furan-5-one
PubChem CID12864807
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-ethoxy-3-ethyl-2H-furan-5-one
SMILESCCOC1OC(=O)C=C1CC
InChIInChI=1S/C8H12O3/c1-3-6-5-7(9)11-8(6)10-4-2/h5,8H,3-4H2,1-2H3
InChIKeyWEOVTVKKMISQLD-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

3-(diethylphosphoryloxymethyl)-2-dodecoxy-2H-furan-5-one
CID 67883021
3-bromo-2-(2-trimethylsilylethoxy)-2H-furan-5-one
CID 11044127
(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 154111425
2-ethyl-6-hydroxy-1,3-dioxin-4-one
CID 121278242
3-ethoxy-7-methyl-3H-2-benzofuran-1-one
CID 15187790
(2R)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003165
(2S)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003164
(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one
CID 10954478
2,5-diethoxy-3-methyl-2,5-dihydrofuran
CID 567466
ethyl 3-methyl-5-oxo-2H-furan-2-carboxylate
CID 10986688
4-chloro-2-ethoxy-3-methylsulfanyl-2H-furan-5-one
CID 71383945
2-ethoxy-1,3-dioxane-4,6-dione
CID 53405380

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-2H-furan-5-one?
The IUPAC name of 2-ethoxy-3-ethyl-2H-furan-5-one (CID 12864807) is 2-ethoxy-3-ethyl-2H-furan-5-one.
What is the SMILES notation for 2-ethoxy-3-ethyl-2H-furan-5-one?
The canonical SMILES for 2-ethoxy-3-ethyl-2H-furan-5-one is CCOC1OC(=O)C=C1CC.
What is the InChIKey of 2-ethoxy-3-ethyl-2H-furan-5-one?
The InChIKey is WEOVTVKKMISQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-6-5-7(9)11-8(6)10-4-2/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-3-ethyl-2H-furan-5-one?
2-ethoxy-3-ethyl-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-2H-furan-5-one is sourced from PubChem (CID 12864807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).