oxolane-2-carbaldehyde

• ChemBase ID: 294095
• Molecular Formular: C5H8O2
• Molecular Mass: 100.11582
• Monoisotopic Mass: 100.0524295
• SMILES: O=CC1OCCC1
• Canonical SMILES: O=CC1CCCO1
• InChI: InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2
• InChIKey: BBNYLDSWVXSNOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2-carbaldehyde
• IUPAC Traditional name: oxolane-2-carbaldehyde
• Synonyms: Tetrahydrofuran-2-carbaldehyde

Database IDs

• CAS Number: 7681-84-7
• MDL Number: MFCD01726184
• PubChem SID: 180679626
• PubChem CID: 24354

CALCULATED PROPERTIES

• Acid pKa: 18.33691
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.061670244
• LogD (pH = 7.4): 0.061670244
• Log P: 0.061670244
• Molar Refractivity: 25.458 cm^3
• Polarizability: 10.005251 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%