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

C7H8O2 — CID 87260669

IUPAC2-(2H-pyran-3-yl)acetaldehyde
SMILESO=CCC1=CC=COC1
InChIInChI=1S/C7H8O2/c8-4-3-7-2-1-5-9-6-7/h1-2,4-5H,3,6H2
InChIKeyCIZUGQKROWYIIR-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.05
Rot. Bonds2

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 Name2-(2H-pyran-3-yl)acetaldehyde
PubChem CID87260669
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name2-(2H-pyran-3-yl)acetaldehyde
SMILESO=CCC1=CC=COC1
InChIInChI=1S/C7H8O2/c8-4-3-7-2-1-5-9-6-7/h1-2,4-5H,3,6H2
InChIKeyCIZUGQKROWYIIR-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 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 ≤ 51.05
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 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).