4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one

C7H10O3 — CID 69223305

IUPAC4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one
SMILESCCC1=C(C)OC(=O)C1O
InChIInChI=1S/C7H10O3/c1-3-5-4(2)10-7(9)6(5)8/h6,8H,3H2,1-2H3
InChIKeyMVSRRNCSVYQIOQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.59
Rot. Bonds1

About 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one

4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one (PubChem CID 69223305) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one.

Molecular Properties

Compound Name4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one
PubChem CID69223305
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one
SMILESCCC1=C(C)OC(=O)C1O
InChIInChI=1S/C7H10O3/c1-3-5-4(2)10-7(9)6(5)8/h6,8H,3H2,1-2H3
InChIKeyMVSRRNCSVYQIOQ-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one?
The IUPAC name of 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one (CID 69223305) is 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one.
What is the SMILES notation for 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one?
The canonical SMILES for 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one is CCC1=C(C)OC(=O)C1O.
What is the InChIKey of 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one?
The InChIKey is MVSRRNCSVYQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5-4(2)10-7(9)6(5)8/h6,8H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one?
4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-hydroxy-5-methyl-3H-furan-2-one is sourced from PubChem (CID 69223305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).