5-propylfuran-2-carbaldehyde

• ChemBase ID: 18696
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: o1c(ccc1CCC)C=O
• Canonical SMILES: CCCc1ccc(o1)C=O
• InChI: InChI=1S/C8H10O2/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
• InChIKey: VRUAYAKBONDNBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propylfuran-2-carbaldehyde
• IUPAC Traditional name: 5-propylfuran-2-carbaldehyde
• Synonyms: 5-Propyl-furan-2-carbaldehyde; 5-propyl-2-furaldehyde

Database IDs

• CAS Number: 14497-27-9
• MDL Number: MFCD08144844
• PubChem SID: 160982003
• PubChem CID: 6502009

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9126471
• LogD (pH = 7.4): 1.9126471
• Log P: 1.9126471
• Molar Refractivity: 39.3076 cm^3
• Polarizability: 14.5475445 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false