2-(tert-butoxy)-4-methylpyridine

• ChemBase ID: 290837
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: Cc1cc(OC(C)(C)C)ncc1
• Canonical SMILES: Cc1ccnc(c1)OC(C)(C)C
• InChI: InChI=1S/C10H15NO/c1-8-5-6-11-9(7-8)12-10(2,3)4/h5-7H,1-4H3
• InChIKey: JXHLMXJCENWTKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butoxy)-4-methylpyridine
• IUPAC Traditional name: 2-(tert-butoxy)-4-methylpyridine
• Synonyms: 2-(tert-Butoxy)-4-methylpyridine

Database IDs

• CAS Number: 57883-15-5
• PubChem SID: 180676368
• PubChem CID: 56737747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7535539
• LogD (pH = 7.4): 2.7596622
• Log P: 2.7597406
• Molar Refractivity: 49.5246 cm^3
• Polarizability: 19.24184 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%