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

C10H14O4 — CID 13235605

IUPACethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)C1CC
InChIInChI=1S/C10H14O4/c1-4-7-8(10(12)13-5-2)6(3)14-9(7)11/h7H,4-5H2,1-3H3
InChIKeyIHKASWAEGYMKEZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.41
Rot. Bonds3

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

ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate (PubChem CID 13235605) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate
PubChem CID13235605
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)C1CC
InChIInChI=1S/C10H14O4/c1-4-7-8(10(12)13-5-2)6(3)14-9(7)11/h7H,4-5H2,1-3H3
InChIKeyIHKASWAEGYMKEZ-UHFFFAOYSA-N
XLogP1.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-amino-5-cyano-4-ethyl-2-methyl-4H-pyran-3-carboxylate
CID 15396822
ethyl (3R,4R)-4-butyl-6-methyl-2-oxo-3-propan-2-yl-3,4-dihydropyran-5-carboxylate
CID 102596022
ethyl (4S)-4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate
CID 86309043
ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate
CID 10774906
tetraethyl (1S,4R,7S,10R)-13,14-dioxapentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate
CID 71658179
ethyl 2-methyl-4,5-dioxofuran-3-carboxylate
CID 116851671
ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
CID 10631006
ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 132547002
ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate
CID 90336585
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
ethyl (3aS,6aS)-2,6a-dimethyl-5-oxo-3a,4-dihydrofuro[2,3-b]furan-3-carboxylate
CID 15175283
diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate (CID 13235605) is ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate is CCOC(=O)C1=C(C)OC(=O)C1CC.
What is the InChIKey of ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate?
The InChIKey is IHKASWAEGYMKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-7-8(10(12)13-5-2)6(3)14-9(7)11/h7H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate?
ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-methyl-2-oxo-3H-furan-4-carboxylate is sourced from PubChem (CID 13235605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).