2-methyl-2-phenylpropanal

• ChemBase ID: 243318
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: C(c1ccccc1)(C=O)(C)C
• Canonical SMILES: O=CC(c1ccccc1)(C)C
• InChI: InChI=1S/C10H12O/c1-10(2,8-11)9-6-4-3-5-7-9/h3-8H,1-2H3
• InChIKey: RJOWHRLIQNKYKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylpropanal
• IUPAC Traditional name: 2-methyl-2-phenylpropanal
• Synonyms: 2-methyl-2-phenylpropanal

Database IDs

• MDL Number: MFCD12031836
• PubChem SID: 164299228
• PubChem CID: 283879

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 2.5513785
• LogD (pH = 7.4): 2.5513785
• Log P: 2.5513785
• Molar Refractivity: 45.5157 cm^3
• Polarizability: 17.783913 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.492

Product Information

• Purity: 95%