5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde

C12H8O4 — CID 13162508

IUPAC5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(C=O)o2)o1
InChIInChI=1S/C12H8O4/c13-7-11-5-3-9(15-11)1-2-10-4-6-12(8-14)16-10/h1-8H/b2-1+
InChIKeyVQFNKDPHKQUBGB-OWOJBTEDSA-N
MW216.19 g/mol
LogP2.67
Rot. Bonds4

About 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde

5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde (PubChem CID 13162508) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
PubChem CID13162508
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Name5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(C=O)o2)o1
InChIInChI=1S/C12H8O4/c13-7-11-5-3-9(15-11)1-2-10-4-6-12(8-14)16-10/h1-8H/b2-1+
InChIKeyVQFNKDPHKQUBGB-OWOJBTEDSA-N
XLogP2.67
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde (CID 13162508) is 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde is O=Cc1ccc(/C=C/c2ccc(C=O)o2)o1.
What is the InChIKey of 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
The InChIKey is VQFNKDPHKQUBGB-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H8O4/c13-7-11-5-3-9(15-11)1-2-10-4-6-12(8-14)16-10/h1-8H/b2-1+.
What are the key properties of 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde?
5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde has a molecular weight of 216.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde is sourced from PubChem (CID 13162508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).