ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate

C11H14O5 — CID 10846851

IUPACethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/OC(=O)C(C)=C1OCC
InChIInChI=1S/C11H14O5/c1-4-14-9(12)6-8-10(15-5-2)7(3)11(13)16-8/h6H,4-5H2,1-3H3/b8-6+
InChIKeyKXVDKJSFTPUQFE-SOFGYWHQSA-N
MW226.23 g/mol
LogP1.30
Rot. Bonds4

About ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate

ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate (PubChem CID 10846851) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
PubChem CID10846851
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/OC(=O)C(C)=C1OCC
InChIInChI=1S/C11H14O5/c1-4-14-9(12)6-8-10(15-5-2)7(3)11(13)16-8/h6H,4-5H2,1-3H3/b8-6+
InChIKeyKXVDKJSFTPUQFE-SOFGYWHQSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-5-[1-methoxy-meth-(z)-ylidene]-5h-furan-2-one
CID 5387000
Methyl convolvulopyrone
CID 156581768
Sudiupjztjljro-utcjrwhesa-
CID 10606975
ethyl (2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 11480829
methyl (2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 12242172
4-Methoxy-3,6-dimethylpyran-2-one
CID 15946810
(4Z, 8Z)-10-Angeloyloxy matricaria lactone
CID 171118721
(4Z, 8Z)-10-Tigloyloxy matricaria lactone
CID 171118722
methyl (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 170027952
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
CID 12026270
(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one
CID 102166722
4-Ethoxy-5-methylidenefuran-2-one
CID 135011368

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate (CID 10846851) is ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate is CCOC(=O)/C=C1/OC(=O)C(C)=C1OCC.
What is the InChIKey of ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate?
The InChIKey is KXVDKJSFTPUQFE-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-14-9(12)6-8-10(15-5-2)7(3)11(13)16-8/h6H,4-5H2,1-3H3/b8-6+.
What are the key properties of ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate?
ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate has a molecular weight of 226.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 10846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).