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

C12H16O5 — CID 57319257

IUPACethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(CC)OC(=O)C1C(=O)CC
InChIInChI=1S/C12H16O5/c1-4-7(13)9-10(11(14)16-6-3)8(5-2)17-12(9)15/h9H,4-6H2,1-3H3
InChIKeyIWLYZWICHPKUGU-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.37
Rot. Bonds5

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

ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate (PubChem CID 57319257) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate
PubChem CID57319257
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(CC)OC(=O)C1C(=O)CC
InChIInChI=1S/C12H16O5/c1-4-7(13)9-10(11(14)16-6-3)8(5-2)17-12(9)15/h9H,4-6H2,1-3H3
InChIKeyIWLYZWICHPKUGU-UHFFFAOYSA-N
XLogP1.37
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-ethyl-2-methyl-5-oxocyclopentene-1-carboxylate
CID 49840974
methyl (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 10060747
3-Carbethoxy-2,5-dimethyl-5-isopropenyl-4,5-dihydrofuran
CID 13413057
Ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate
CID 101224908
5-Isopropyl-3-carbethoxy-2,5-dimethyl-4,5-dihydrofuran
CID 129796787
dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate
CID 336184
Methyl 2-[3-(methoxymethyl)-4-methyl-2-oxocyclopent-3-en-1-yl]acetate
CID 353898
Ethyl 2-methoxy-5-oxocyclopentene-1-carboxylate
CID 19910942
Ethyl 2-ethyl-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
CID 20191533
ethyl 2-ethyl-2,5-dimethyl-3H-furan-4-carboxylate
CID 20191537
Propan-2-yl 2-ethyl-5-propan-2-yl-2,3-dihydrofuran-4-carboxylate
CID 20191539
methyl 2-ethyl-2,5-dimethyl-3H-furan-4-carboxylate
CID 20191540

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate (CID 57319257) is ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate is CCOC(=O)C1=C(CC)OC(=O)C1C(=O)CC.
What is the InChIKey of ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate?
The InChIKey is IWLYZWICHPKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-4-7(13)9-10(11(14)16-6-3)8(5-2)17-12(9)15/h9H,4-6H2,1-3H3.
What are the key properties of ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate?
ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate has a molecular weight of 240.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate is sourced from PubChem (CID 57319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).