2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate

C13H14O4 — CID 54353215

IUPAC2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate
SMILESC=COCCOC(=O)C=CC=Cc1ccco1
InChIInChI=1S/C13H14O4/c1-2-15-10-11-17-13(14)8-4-3-6-12-7-5-9-16-12/h2-9H,1,10-11H2
InChIKeyUHFXAUBKZFZFAV-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.55
Rot. Bonds7

About 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate

2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate (PubChem CID 54353215) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate.

Molecular Properties

Compound Name2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate
PubChem CID54353215
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate
SMILESC=COCCOC(=O)C=CC=Cc1ccco1
InChIInChI=1S/C13H14O4/c1-2-15-10-11-17-13(14)8-4-3-6-12-7-5-9-16-12/h2-9H,1,10-11H2
InChIKeyUHFXAUBKZFZFAV-UHFFFAOYSA-N
XLogP2.55
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate?
The IUPAC name of 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate (CID 54353215) is 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate.
What is the SMILES notation for 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate?
The canonical SMILES for 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate is C=COCCOC(=O)C=CC=Cc1ccco1.
What is the InChIKey of 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate?
The InChIKey is UHFXAUBKZFZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-15-10-11-17-13(14)8-4-3-6-12-7-5-9-16-12/h2-9H,1,10-11H2.
What are the key properties of 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate?
2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate has a molecular weight of 234.25 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl 5-(furan-2-yl)penta-2,4-dienoate is sourced from PubChem (CID 54353215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).