5-(2-methylcyclopropyl)furan-2-carbaldehyde

• ChemBase ID: 122056
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: C1(c2oc(cc2)C=O)CC1C
• Canonical SMILES: CC1CC1c1ccc(o1)C=O
• InChI: InChI=1S/C9H10O2/c1-6-4-8(6)9-3-2-7(5-10)11-9/h2-3,5-6,8H,4H2,1H3
• InChIKey: VBFPNYFEWORKHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylcyclopropyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(2-methylcyclopropyl)furan-2-carbaldehyde
• Synonyms: 5-(2-methylcyclopropyl)furan-2-carbaldehyde; 5-(2-methylcyclopropyl)-2-furaldehyde

Database IDs

• MDL Number: MFCD07352313
• PubChem SID: 162216409
• PubChem CID: 16226781

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6563445
• LogD (pH = 7.4): 1.6563445
• Log P: 1.6563445
• Molar Refractivity: 41.9246 cm^3
• Polarizability: 15.662185 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 2.133

Product Information

• Purity: 95%