ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate

C7H8O5 — CID 54680106

IUPACethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)OC1
InChIInChI=1S/C7H8O5/c1-2-11-6(9)4-3-12-7(10)5(4)8/h8H,2-3H2,1H3
InChIKeyVHCXSFSIXAJBDE-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.08
Rot. Bonds2

About ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate

ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate (PubChem CID 54680106) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate
PubChem CID54680106
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Nameethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)OC1
InChIInChI=1S/C7H8O5/c1-2-11-6(9)4-3-12-7(10)5(4)8/h8H,2-3H2,1H3
InChIKeyVHCXSFSIXAJBDE-UHFFFAOYSA-N
XLogP-0.08
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate (CID 54680106) is ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate is CCOC(=O)C1=C(O)C(=O)OC1.
What is the InChIKey of ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The InChIKey is VHCXSFSIXAJBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-2-11-6(9)4-3-12-7(10)5(4)8/h8H,2-3H2,1H3.
What are the key properties of ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate?
ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate has a molecular weight of 172.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 54680106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).