5-ethyl-4-hydroxy-5-methylfuran-2-one

C7H10O3 — CID 54717358

IUPAC5-ethyl-4-hydroxy-5-methylfuran-2-one
SMILESCCC1(C)OC(=O)C=C1O
InChIInChI=1S/C7H10O3/c1-3-7(2)5(8)4-6(9)10-7/h4,8H,3H2,1-2H3
InChIKeyYQXPLYCFLYRLLX-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.15
Rot. Bonds1

About 5-ethyl-4-hydroxy-5-methylfuran-2-one

5-ethyl-4-hydroxy-5-methylfuran-2-one (PubChem CID 54717358) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-5-methylfuran-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-5-methylfuran-2-one
PubChem CID54717358
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-ethyl-4-hydroxy-5-methylfuran-2-one
SMILESCCC1(C)OC(=O)C=C1O
InChIInChI=1S/C7H10O3/c1-3-7(2)5(8)4-6(9)10-7/h4,8H,3H2,1-2H3
InChIKeyYQXPLYCFLYRLLX-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-5-isopropyl-5-methoxyfuran-2(5H)-one
CID 121226715
5-Dimethyl-3-hydroxy-2(5h)-furanone
CID 10931451
4-Hydroxy-5,5-dimethyl-2(5H)-furanone
CID 54720139
4-Hydroxy-5-(propan-2-yl)furan-2(5H)-one
CID 54711387
5-tert-Butyl-4-hydroxyfuran-2(5H)-one
CID 54711853
4-Hydroxy-3,5,5-trimethylfuran-2(5H)-one
CID 54716621
7-Hydroxy-4-oxaspiro[2.4]hept-6-en-5-one
CID 69669441
2-ethyl-3-hydroxy-2H-furan-5-one
CID 85831226
ethane;2-ethyl-3-hydroxy-2H-furan-5-one
CID 142318670
4-Hydroxy-5,5-bis(prop-2-enyl)furan-2-one
CID 173508143
(5S)-5-butyl-4-hydroxy-5-methylfuran-2-one
CID 101046884

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-5-methylfuran-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-5-methylfuran-2-one (CID 54717358) is 5-ethyl-4-hydroxy-5-methylfuran-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-5-methylfuran-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-5-methylfuran-2-one is CCC1(C)OC(=O)C=C1O.
What is the InChIKey of 5-ethyl-4-hydroxy-5-methylfuran-2-one?
The InChIKey is YQXPLYCFLYRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-7(2)5(8)4-6(9)10-7/h4,8H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-hydroxy-5-methylfuran-2-one?
5-ethyl-4-hydroxy-5-methylfuran-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-5-methylfuran-2-one is sourced from PubChem (CID 54717358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).