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

C8H12O3 — CID 54709928

IUPAC3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one
SMILESCCC1=C(O)C(C)(C)OC1=O
InChIInChI=1S/C8H12O3/c1-4-5-6(9)8(2,3)11-7(5)10/h9H,4H2,1-3H3
InChIKeyXCUXGPHIRWVKCI-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds1

About 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one

3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one (PubChem CID 54709928) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one
PubChem CID54709928
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one
SMILESCCC1=C(O)C(C)(C)OC1=O
InChIInChI=1S/C8H12O3/c1-4-5-6(9)8(2,3)11-7(5)10/h9H,4H2,1-3H3
InChIKeyXCUXGPHIRWVKCI-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

3-Ethyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54690859
2(5H)-Furanone, 4-hydroxy-3,5-dimethyl-
CID 54698897
3-ethyl-4-hydroxyfuran-2(5H)-one
CID 67932016
4-Hydroxy-5,5-dimethyl-2(5H)-furanone
CID 54720139
3-tert-Butyl-4-hydroxyfuran-2(5H)-one
CID 54732051
(+)-4-Carboxy-methyl-2,4-dimethylbut-2-en-4-olide
CID 129717749
4-Hydroxy-3-(3-methylbut-2-en-1-yl)furan-2(5H)-one
CID 54714460
3-Ethyl-4-hydroxyfuran-2,5-dione
CID 76764562
8-Hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one
CID 54708765
2-ethyl-3-hydroxy-4-methyl-2H-furan-5-one
CID 54710013
Methyl 4-hydroxy-5,5-dimethyl-2-oxofuran-3-carboxylate
CID 54710024
4-Hydroxy-3,5,5-trimethylfuran-2(5H)-one
CID 54716621

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one (CID 54709928) is 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one is CCC1=C(O)C(C)(C)OC1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one?
The InChIKey is XCUXGPHIRWVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-5-6(9)8(2,3)11-7(5)10/h9H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one?
3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5,5-dimethylfuran-2-one is sourced from PubChem (CID 54709928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).