5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde

C9H10O4 — CID 11622449

IUPAC5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(/C=C\OCCO)o1
InChIInChI=1S/C9H10O4/c10-4-6-12-5-3-8-1-2-9(7-11)13-8/h1-3,5,7,10H,4,6H2/b5-3-
InChIKeyFLDSIGBGSMNLQJ-HYXAFXHYSA-N
MW182.17 g/mol
LogP1.07
Rot. Bonds5

About 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde

5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde (PubChem CID 11622449) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde
PubChem CID11622449
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(/C=C\OCCO)o1
InChIInChI=1S/C9H10O4/c10-4-6-12-5-3-8-1-2-9(7-11)13-8/h1-3,5,7,10H,4,6H2/b5-3-
InChIKeyFLDSIGBGSMNLQJ-HYXAFXHYSA-N
XLogP1.07
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde (CID 11622449) is 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde is O=Cc1ccc(/C=C\OCCO)o1.
What is the InChIKey of 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde?
The InChIKey is FLDSIGBGSMNLQJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H10O4/c10-4-6-12-5-3-8-1-2-9(7-11)13-8/h1-3,5,7,10H,4,6H2/b5-3-.
What are the key properties of 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde?
5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde is sourced from PubChem (CID 11622449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).