2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid

C8H10O4 — CID 24976533

IUPAC2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid
SMILESCCC1=C(CC(=O)O)COC1=O
InChIInChI=1S/C8H10O4/c1-2-6-5(3-7(9)10)4-12-8(6)11/h2-4H2,1H3,(H,9,10)
InChIKeyZDWQFPBSVQFSQF-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.72
Rot. Bonds3

About 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid

2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid (PubChem CID 24976533) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid
PubChem CID24976533
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid
SMILESCCC1=C(CC(=O)O)COC1=O
InChIInChI=1S/C8H10O4/c1-2-6-5(3-7(9)10)4-12-8(6)11/h2-4H2,1H3,(H,9,10)
InChIKeyZDWQFPBSVQFSQF-UHFFFAOYSA-N
XLogP0.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid (CID 24976533) is 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid is CCC1=C(CC(=O)O)COC1=O.
What is the InChIKey of 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid?
The InChIKey is ZDWQFPBSVQFSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-6-5(3-7(9)10)4-12-8(6)11/h2-4H2,1H3,(H,9,10).
What are the key properties of 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid?
2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid has a molecular weight of 170.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-oxo-2H-furan-3-yl)acetic acid is sourced from PubChem (CID 24976533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).