2,6-di-tert-butylnaphthalene

• ChemBase ID: 107821
• Molecular Formular: C18H24
• Molecular Mass: 240.38316
• Monoisotopic Mass: 240.18780077
• SMILES: CC(C)(C)c1ccc2cc(ccc2c1)C(C)(C)C
• Canonical SMILES: CC(c1ccc2c(c1)ccc(c2)C(C)(C)C)(C)C
• InChI: InChI=1S/C18H24/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7-12H,1-6H3
• InChIKey: TZGXZNWUOXLMFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-di-tert-butylnaphthalene
• IUPAC Traditional name: 2,6-di-tert-butylnaphthalene
• Synonyms: 2,6-Di-tert-butylnaphthalene; 2,6-DI-tert-BUTYLNAPHTHALENE; 2,6-二叔丁基萘

Database IDs

• CAS Number: 3905-64-4
• MDL Number: MFCD00004110
• PubChem SID: 162095460
• PubChem CID: 77509

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.052835
• LogD (pH = 7.4): 6.052835
• Log P: 6.052835
• Molar Refractivity: 79.84 cm^3
• Polarizability: 32.636356 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%
• Grade: technical grade
• Empirical Formula (Hill Notation): C18H24

DETAILS

MP Biomedicals - 05205141

MP Biomedicals Rare Chemical collection