1-(2,2-diethoxyethoxy)-2-ethoxybenzene

• ChemBase ID: 168356
• Molecular Formular: C14H22O4
• Molecular Mass: 254.32208
• Monoisotopic Mass: 254.15180918
• SMILES: c1cccc(c1OCC)OCC(OCC)OCC
• Canonical SMILES: CCOC(COc1ccccc1OCC)OCC
• InChI: InChI=1S/C14H22O4/c1-4-15-12-9-7-8-10-13(12)18-11-14(16-5-2)17-6-3/h7-10,14H,4-6,11H2,1-3H3
• InChIKey: KEFIGZIQAGNFAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diethoxyethoxy)-2-ethoxybenzene
• IUPAC Traditional name: 1-(2,2-diethoxyethoxy)-2-ethoxybenzene
• Synonyms: 1-(2,2-Diethoxyethoxy)-2-ethoxy-benzene; 2-(2-Ethoxyphenoxy)acetaldehyde Diethyl Acetal

Database IDs

• CAS Number: 112101-73-2
• PubChem SID: 162262488
• PubChem CID: 13981129

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9602542
• LogD (pH = 7.4): 2.9602542
• Log P: 2.9602542
• Molar Refractivity: 70.0548 cm^3
• Polarizability: 27.80121 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Oil