1,1,3,3-tetramethyl-4,6-bis(propan-2-yl)-2,3-dihydro-1H-inden-5-ol

• ChemBase ID: 295651
• Molecular Formular: C19H30O
• Molecular Mass: 274.4409
• Monoisotopic Mass: 274.22966558
• SMILES: CC(C)c1cc2c(c(c1O)C(C)C)C(CC2(C)C)(C)C
• Canonical SMILES: CC(c1c(O)c(cc2c1C(C)(C)CC2(C)C)C(C)C)C
• InChI: InChI=1S/C19H30O/c1-11(2)13-9-14-16(15(12(3)4)17(13)20)19(7,8)10-18(14,5)6/h9,11-12,20H,10H2,1-8H3
• InChIKey: WGQDDNQFNLMBOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetramethyl-4,6-bis(propan-2-yl)-2,3-dihydro-1H-inden-5-ol
• IUPAC Traditional name: 4,6-diisopropyl-1,1,3,3-tetramethyl-2H-inden-5-ol
• Synonyms: 4,6-Diisopropyl-1,1,3,3-tetramethyl-5-indanol; 4,6-二异丙基-1,1,3,3-四甲基-5-茚醇

Database IDs

• CAS Number: 93892-40-1
• EC Number: 299-523-7
• MDL Number: MFCD00061045
• PubChem SID: 180681182
• PubChem CID: 621162

CALCULATED PROPERTIES

• Acid pKa: 11.222881
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.341516
• LogD (pH = 7.4): 6.3414516
• Log P: 6.341517
• Molar Refractivity: 87.3491 cm^3
• Polarizability: 33.87265 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 146-148°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%