ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate

C17H26O6 — CID 25100333

IUPACethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C/C=C/CC1C(C(=O)OCC)=C(CC)OC1OC
InChIInChI=1S/C17H26O6/c1-5-13-15(16(19)22-7-3)12(17(20-4)23-13)10-8-9-11-14(18)21-6-2/h8-9,12,17H,5-7,10-11H2,1-4H3/b9-8+
InChIKeyCFXWGINIGYBLSC-CMDGGOBGSA-N
MW326.39 g/mol
LogP2.73
Rot. Bonds9

About ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate

ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate (PubChem CID 25100333) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate
PubChem CID25100333
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Nameethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C/C=C/CC1C(C(=O)OCC)=C(CC)OC1OC
InChIInChI=1S/C17H26O6/c1-5-13-15(16(19)22-7-3)12(17(20-4)23-13)10-8-9-11-14(18)21-6-2/h8-9,12,17H,5-7,10-11H2,1-4H3/b9-8+
InChIKeyCFXWGINIGYBLSC-CMDGGOBGSA-N
XLogP2.73
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate with MolForge

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Related Compounds

Ethyl 4,5-dihydro-5-methoxy-2,4-dimethyl-3-furancarboxylate
CID 3079047
2H-Cyclopenta(b)furan-2-one, 3-((((2S)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,6a-tetrahydro-, (3E,3aS,6aS)-
CID 3036801
Strigol deriv
CID 5358842
dimethyl 6a-methyl-3aH-furo[2,3-b]furan-4,5-dicarboxylate
CID 76453084
methyl (3aR,6aR)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 102157245
(3E)-4,5-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]oxolan-2-one
CID 134857979
methyl (3aS,6aS)-2-butyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900064
methyl (3aS,6aS)-2-but-3-enyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134900065
methyl (3aR,6aR)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134972565
(3E,3aR,6aR)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 3036800
2-Oxabicyclo[3.3.0]octa-3,7-diene-4-carboxylic acid, 3-methyl-2(5H)-oxofuran-5-yl ester
CID 566116
2H-Cyclopenta[B]furan-2-one,3-[[(2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy]methylene]-3,3A,4,6A-tetrahydro-
CID 323549

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate (CID 25100333) is ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C/C=C/CC1C(C(=O)OCC)=C(CC)OC1OC.
What is the InChIKey of ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate?
The InChIKey is CFXWGINIGYBLSC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H26O6/c1-5-13-15(16(19)22-7-3)12(17(20-4)23-13)10-8-9-11-14(18)21-6-2/h8-9,12,17H,5-7,10-11H2,1-4H3/b9-8+.
What are the key properties of ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate?
ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(E)-5-ethoxy-5-oxopent-2-enyl]-5-ethyl-2-methoxy-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 25100333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).