2,3-diethyl-4-hydroxy-2H-furan-5-one

C8H12O3 — CID 13199940

IUPAC2,3-diethyl-4-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)C(=O)OC1CC
InChIInChI=1S/C8H12O3/c1-3-5-6(4-2)11-8(10)7(5)9/h6,9H,3-4H2,1-2H3
InChIKeyYKJOPQQFWPADLH-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds2

About 2,3-diethyl-4-hydroxy-2H-furan-5-one

2,3-diethyl-4-hydroxy-2H-furan-5-one (PubChem CID 13199940) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,3-diethyl-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2,3-diethyl-4-hydroxy-2H-furan-5-one
PubChem CID13199940
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,3-diethyl-4-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)C(=O)OC1CC
InChIInChI=1S/C8H12O3/c1-3-5-6(4-2)11-8(10)7(5)9/h6,9H,3-4H2,1-2H3
InChIKeyYKJOPQQFWPADLH-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-hydroxy-2H-furan-5-one?
The IUPAC name of 2,3-diethyl-4-hydroxy-2H-furan-5-one (CID 13199940) is 2,3-diethyl-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for 2,3-diethyl-4-hydroxy-2H-furan-5-one?
The canonical SMILES for 2,3-diethyl-4-hydroxy-2H-furan-5-one is CCC1=C(O)C(=O)OC1CC.
What is the InChIKey of 2,3-diethyl-4-hydroxy-2H-furan-5-one?
The InChIKey is YKJOPQQFWPADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-5-6(4-2)11-8(10)7(5)9/h6,9H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-4-hydroxy-2H-furan-5-one?
2,3-diethyl-4-hydroxy-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 13199940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).