1,4-di-tert-butyl-2,5-dimethoxybenzene

• ChemBase ID: 294605
• Molecular Formular: C16H26O2
• Molecular Mass: 250.37644
• Monoisotopic Mass: 250.19328007
• SMILES: COc1cc(c(OC)cc1C(C)(C)C)C(C)(C)C
• Canonical SMILES: COc1cc(c(cc1C(C)(C)C)OC)C(C)(C)C
• InChI: InChI=1S/C16H26O2/c1-15(2,3)11-9-14(18-8)12(16(4,5)6)10-13(11)17-7/h9-10H,1-8H3
• InChIKey: ATGCJUULFWEWPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-di-tert-butyl-2,5-dimethoxybenzene
• IUPAC Traditional name: 1,4-di-tert-butyl-2,5-dimethoxybenzene
• Synonyms: 1,4-Di-tert-butyl-2,5-dimethoxybenzene

Database IDs

• CAS Number: 7323-63-9
• MDL Number: MFCD00026281
• PubChem SID: 180680136
• PubChem CID: 138995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.748016
• LogD (pH = 7.4): 4.748016
• Log P: 4.748016
• Molar Refractivity: 76.3162 cm^3
• Polarizability: 29.953465 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%