2-(oxetan-2-yl)acetaldehyde

C5H8O2 — CID 53346577

IUPAC2-(oxetan-2-yl)acetaldehyde
SMILESO=CCC1CCO1
InChIInChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2
InChIKeyVRKBXGVCHFUJEU-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.36
Rot. Bonds2

About 2-(oxetan-2-yl)acetaldehyde

2-(oxetan-2-yl)acetaldehyde (PubChem CID 53346577) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-(oxetan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(oxetan-2-yl)acetaldehyde
PubChem CID53346577
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-(oxetan-2-yl)acetaldehyde
SMILESO=CCC1CCO1
InChIInChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2
InChIKeyVRKBXGVCHFUJEU-UHFFFAOYSA-N
XLogP0.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.36
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-(oxetan-2-yl)acetaldehyde?
The IUPAC name of 2-(oxetan-2-yl)acetaldehyde (CID 53346577) is 2-(oxetan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(oxetan-2-yl)acetaldehyde?
The canonical SMILES for 2-(oxetan-2-yl)acetaldehyde is O=CCC1CCO1.
What is the InChIKey of 2-(oxetan-2-yl)acetaldehyde?
The InChIKey is VRKBXGVCHFUJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h3,5H,1-2,4H2.
What are the key properties of 2-(oxetan-2-yl)acetaldehyde?
2-(oxetan-2-yl)acetaldehyde has a molecular weight of 100.12 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-2-yl)acetaldehyde is sourced from PubChem (CID 53346577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).