(2,2,2-trimethoxyethyl)benzene

• ChemBase ID: 278008
• Molecular Formular: C11H16O3
• Molecular Mass: 196.24294
• Monoisotopic Mass: 196.10994437
• SMILES: C(Cc1ccccc1)(OC)(OC)OC
• Canonical SMILES: COC(Cc1ccccc1)(OC)OC
• InChI: InChI=1S/C11H16O3/c1-12-11(13-2,14-3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: ILUBBACPXXDRBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,2-trimethoxyethyl)benzene
• IUPAC Traditional name: (2,2,2-trimethoxyethyl)benzene
• Synonyms: (2,2,2-trimethoxyethyl)benzene

Database IDs

• MDL Number: MFCD16112440
• PubChem SID: 164333918
• PubChem CID: 12807996

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6595984
• LogD (pH = 7.4): 2.6595984
• Log P: 2.6595984
• Molar Refractivity: 54.959 cm^3
• Polarizability: 21.529522 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.247

Product Information

• Purity: 95%