2-(2H-pyran-3-yl)acetaldehyde

C₇H₈O₂ — CID 87260669

About 2-(2H-pyran-3-yl)acetaldehyde

2-(2H-pyran-3-yl)acetaldehyde (PubChem CID 87260669) has the molecular formula C₇H₈O₂ and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(2H-pyran-3-yl)acetaldehyde.

Molecular Properties

• Compound Name: 2-(2H-pyran-3-yl)acetaldehyde
• PubChem CID: 87260669
• Molecular Formula: C₇H₈O₂
• Molecular Weight: 124.14 g/mol
• Exact Mass: 124.05
• IUPAC Name: 2-(2H-pyran-3-yl)acetaldehyde
• SMILES: O=CCC1=CC=COC1
• InChI: InChI=1S/C7H8O2/c8-4-3-7-2-1-5-9-6-7/h1-2,4-5H,3,6H2
• InChIKey: CIZUGQKROWYIIR-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	124.14
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-3-yl)acetaldehyde?

The IUPAC name of 2-(2H-pyran-3-yl)acetaldehyde (CID 87260669) is 2-(2H-pyran-3-yl)acetaldehyde.

What is the SMILES notation for 2-(2H-pyran-3-yl)acetaldehyde?

The canonical SMILES for 2-(2H-pyran-3-yl)acetaldehyde is O=CCC1=CC=COC1.

What is the InChIKey of 2-(2H-pyran-3-yl)acetaldehyde?

The InChIKey is CIZUGQKROWYIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-4-3-7-2-1-5-9-6-7/h1-2,4-5H,3,6H2.

What are the key properties of 2-(2H-pyran-3-yl)acetaldehyde?

2-(2H-pyran-3-yl)acetaldehyde has a molecular weight of 124.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-pyran-3-yl)acetaldehyde is sourced from PubChem (CID 87260669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87260669 — identifiers, structure, computed properties (public domain)

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