5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ol

• ChemBase ID: 796254
• Molecular Formular: C14H20O
• Molecular Mass: 204.308
• Monoisotopic Mass: 204.15141526
• SMILES: C1C(c2c(C(C1)(C)C)ccc(c2)O)(C)C
• Canonical SMILES: Oc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C14H20O/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9,15H,7-8H2,1-4H3
• InChIKey: UZHCJGSIRIFQTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
• Synonyms: 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Database IDs

• CAS Number: 22824-31-3

CALCULATED PROPERTIES

• Acid pKa: 10.277504
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.29606
• LogD (pH = 7.4): 4.295495
• Log P: 4.296067
• Molar Refractivity: 63.5685 cm^3
• Polarizability: 24.802837 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%