2-methylcyclopropane-1-carbaldehyde

• ChemBase ID: 237656
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: C1(CC1C)C=O
• Canonical SMILES: CC1CC1C=O
• InChI: InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3
• InChIKey: LUAHIAJUNPNXHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopropane-1-carbaldehyde
• IUPAC Traditional name: 2-methylcyclopropane-1-carbaldehyde
• Synonyms: 2-methylcyclopropane-1-carbaldehyde

Database IDs

• MDL Number: MFCD12024932
• PubChem SID: 164293566
• PubChem CID: 13379958

CALCULATED PROPERTIES

• Acid pKa: 16.711731
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6848534
• LogD (pH = 7.4): 0.6848534
• Log P: 0.6848534
• Molar Refractivity: 23.6661 cm^3
• Polarizability: 9.282628 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.879

Product Information

• Purity: 95%