2,6-bis(dodecyloxy)benzaldehyde

• ChemBase ID: 798229
• Molecular Formular: C31H54O3
• Molecular Mass: 474.75866
• Monoisotopic Mass: 474.40729559
• SMILES: c1(c(cccc1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C=O
• Canonical SMILES: CCCCCCCCCCCCOc1cccc(c1C=O)OCCCCCCCCCCCC
• InChI: InChI=1S/C31H54O3/c1-3-5-7-9-11-13-15-17-19-21-26-33-30-24-23-25-31(29(30)28-32)34-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28H,3-22,26-27H2,1-2H3
• InChIKey: QPAKGKFSBBAHMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(dodecyloxy)benzaldehyde
• IUPAC Traditional name: 2,6-bis(dodecyloxy)benzaldehyde
• Synonyms: 2,6-bis(dodecyloxy)benzaldehyde

Database IDs

• CAS Number: 1198467-57-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 11.131302
• LogD (pH = 7.4): 11.131302
• Log P: 11.131302
• Molar Refractivity: 146.9316 cm^3
• Polarizability: 57.822243 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%