ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate

C11H12O6 — CID 146010161

IUPACethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
SMILESCCOC(=O)C(=O)c1ccc(C(=O)OCC)o1
InChIInChI=1S/C11H12O6/c1-3-15-10(13)8-6-5-7(17-8)9(12)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeyMVIXWQPWIQZPQC-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.20
Rot. Bonds5

About ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate

ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate (PubChem CID 146010161) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
PubChem CID146010161
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Nameethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
SMILESCCOC(=O)C(=O)c1ccc(C(=O)OCC)o1
InChIInChI=1S/C11H12O6/c1-3-15-10(13)8-6-5-7(17-8)9(12)11(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeyMVIXWQPWIQZPQC-UHFFFAOYSA-N
XLogP1.20
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2,2-dichloroacetyl)furan-2-carboxylate
CID 146010164
zinc;ethyl 5-methanidylfuran-2-carboxylate;chloride
CID 57349193
ethyl 2-oxo-2-(4-propylphenyl)acetate
CID 2758899
5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
ethyl 5-triethoxygermylfuran-2-carboxylate
CID 71429750
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl 5-(1-hydroxy-2,2-dimethylpropyl)furan-2-carboxylate
CID 59336416
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl 5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-carboxylate
CID 56971831
ethyl 2-(6-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072591
3-[(5-ethoxycarbonylfuran-2-yl)methyl]pentan-3-ylazanium
CID 22299463

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate?
The IUPAC name of ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate (CID 146010161) is ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate?
The canonical SMILES for ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate is CCOC(=O)C(=O)c1ccc(C(=O)OCC)o1.
What is the InChIKey of ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate?
The InChIKey is MVIXWQPWIQZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-3-15-10(13)8-6-5-7(17-8)9(12)11(14)16-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate?
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate has a molecular weight of 240.21 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate is sourced from PubChem (CID 146010161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).