2,4-bis(prop-2-en-1-yloxy)benzaldehyde

• ChemBase ID: 307703
• Molecular Formular: C13H14O3
• Molecular Mass: 218.24846
• Monoisotopic Mass: 218.09429431
• SMILES: c1(c(ccc(c1)OCC=C)C=O)OCC=C
• Canonical SMILES: C=CCOc1ccc(c(c1)OCC=C)C=O
• InChI: InChI=1S/C13H14O3/c1-3-7-15-12-6-5-11(10-14)13(9-12)16-8-4-2/h3-6,9-10H,1-2,7-8H2
• InChIKey: GACDJVALBBJGQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 2,4-bis(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 2,4-bis(allyloxy)benzaldehyde

Database IDs

• CAS Number: 96601-10-4
• MDL Number: MFCD03198353

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8329053
• LogD (pH = 7.4): 2.8329053
• Log P: 2.8329053
• Molar Refractivity: 63.8938 cm^3
• Polarizability: 24.139475 Å^3
• Polar Surface Area: 35.53 Å^2