3-ethoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde

• ChemBase ID: 312636
• Molecular Formular: C14H18O3
• Molecular Mass: 234.29092
• Monoisotopic Mass: 234.12559444
• SMILES: c1(c(ccc(c1)C=O)OCC=C(C)C)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCC=C(C)C
• InChI: InChI=1S/C14H18O3/c1-4-16-14-9-12(10-15)5-6-13(14)17-8-7-11(2)3/h5-7,9-10H,4,8H2,1-3H3
• InChIKey: XRMYEOWPLMERRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
• IUPAC Traditional name: 3-ethoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
• Synonyms: 3-ethoxy-4-[(3-methyl-2-buten-1-yl)oxy]benzaldehyde

Database IDs

• CAS Number: 909853-98-1
• MDL Number: MFCD08691986

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0884597
• LogD (pH = 7.4): 3.0884597
• Log P: 3.0884597
• Molar Refractivity: 69.4352 cm^3
• Polarizability: 26.222313 Å^3
• Polar Surface Area: 35.53 Å^2