2-(5-oxo-2H-furan-2-yl)acetate

C6H5O4- — CID 23615314

IUPAC2-(5-oxo-2H-furan-2-yl)acetate
SMILESO=C([O-])CC1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1
InChIKeyHPEKPJGPWNSAAV-UHFFFAOYSA-M
MW141.10 g/mol
LogP-1.39
Rot. Bonds2

About 2-(5-oxo-2H-furan-2-yl)acetate

2-(5-oxo-2H-furan-2-yl)acetate (PubChem CID 23615314) has the molecular formula C6H5O4- and a molecular weight of 141.10 g/mol. Its IUPAC name is 2-(5-oxo-2H-furan-2-yl)acetate.

Molecular Properties

Compound Name2-(5-oxo-2H-furan-2-yl)acetate
PubChem CID23615314
Molecular FormulaC6H5O4-
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name2-(5-oxo-2H-furan-2-yl)acetate
SMILESO=C([O-])CC1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1
InChIKeyHPEKPJGPWNSAAV-UHFFFAOYSA-M
XLogP-1.39
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2H-furan-2-yl)acetate?
The IUPAC name of 2-(5-oxo-2H-furan-2-yl)acetate (CID 23615314) is 2-(5-oxo-2H-furan-2-yl)acetate.
What is the SMILES notation for 2-(5-oxo-2H-furan-2-yl)acetate?
The canonical SMILES for 2-(5-oxo-2H-furan-2-yl)acetate is O=C([O-])CC1C=CC(=O)O1.
What is the InChIKey of 2-(5-oxo-2H-furan-2-yl)acetate?
The InChIKey is HPEKPJGPWNSAAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1.
What are the key properties of 2-(5-oxo-2H-furan-2-yl)acetate?
2-(5-oxo-2H-furan-2-yl)acetate has a molecular weight of 141.10 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2H-furan-2-yl)acetate is sourced from PubChem (CID 23615314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).