3-ethylfuran-2-carbaldehyde

C7H8O2 — CID 57180571

IUPAC3-ethylfuran-2-carbaldehyde
SMILESCCc1ccoc1C=O
InChIInChI=1S/C7H8O2/c1-2-6-3-4-9-7(6)5-8/h3-5H,2H2,1H3
InChIKeyGOAOMLBTQLSMLX-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.65
Rot. Bonds2

About 3-ethylfuran-2-carbaldehyde

3-ethylfuran-2-carbaldehyde (PubChem CID 57180571) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-ethylfuran-2-carbaldehyde.

Molecular Properties

Compound Name3-ethylfuran-2-carbaldehyde
PubChem CID57180571
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name3-ethylfuran-2-carbaldehyde
SMILESCCc1ccoc1C=O
InChIInChI=1S/C7H8O2/c1-2-6-3-4-9-7(6)5-8/h3-5H,2H2,1H3
InChIKeyGOAOMLBTQLSMLX-UHFFFAOYSA-N
XLogP1.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylfuran-2-carbaldehyde?
The IUPAC name of 3-ethylfuran-2-carbaldehyde (CID 57180571) is 3-ethylfuran-2-carbaldehyde.
What is the SMILES notation for 3-ethylfuran-2-carbaldehyde?
The canonical SMILES for 3-ethylfuran-2-carbaldehyde is CCc1ccoc1C=O.
What is the InChIKey of 3-ethylfuran-2-carbaldehyde?
The InChIKey is GOAOMLBTQLSMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-6-3-4-9-7(6)5-8/h3-5H,2H2,1H3.
What are the key properties of 3-ethylfuran-2-carbaldehyde?
3-ethylfuran-2-carbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylfuran-2-carbaldehyde is sourced from PubChem (CID 57180571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).