potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate

C7H7KO5 — CID 44604122

IUPACpotassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate
SMILESCCOC(=O)C1=C([O-])COC1=O.[K+]
InChIInChI=1S/C7H8O5.K/c1-2-11-6(9)5-4(8)3-12-7(5)10;/h8H,2-3H2,1H3;/q;+1/p-1
InChIKeyKVDBBQNEWAWFTN-UHFFFAOYSA-M
MW210.23 g/mol
LogP-4.28
Rot. Bonds2

About potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate

potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate (PubChem CID 44604122) has the molecular formula C7H7KO5 and a molecular weight of 210.23 g/mol. Its IUPAC name is potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate.

Molecular Properties

Compound Namepotassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate
PubChem CID44604122
Molecular FormulaC7H7KO5
Molecular Weight210.23 g/mol
Exact Mass209.99
IUPAC Namepotassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate
SMILESCCOC(=O)C1=C([O-])COC1=O.[K+]
InChIInChI=1S/C7H8O5.K/c1-2-11-6(9)5-4(8)3-12-7(5)10;/h8H,2-3H2,1H3;/q;+1/p-1
InChIKeyKVDBBQNEWAWFTN-UHFFFAOYSA-M
XLogP-4.28
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-4.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate?
The IUPAC name of potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate (CID 44604122) is potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate.
What is the SMILES notation for potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate?
The canonical SMILES for potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate is CCOC(=O)C1=C([O-])COC1=O.[K+].
What is the InChIKey of potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate?
The InChIKey is KVDBBQNEWAWFTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O5.K/c1-2-11-6(9)5-4(8)3-12-7(5)10;/h8H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate?
potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate has a molecular weight of 210.23 g/mol, XLogP of -4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-ethoxycarbonyl-5-oxo-2H-furan-3-olate is sourced from PubChem (CID 44604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).