ol

• ChemBase ID: 146777
• Molecular Formular: C29H41O2
• Molecular Mass: 421.63464
• Monoisotopic Mass: 421.31065555
• SMILES: CC(C)(C)c1cc(cc(c1[O])C(C)(C)C)/C=C\1/C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
• Canonical SMILES: O=C1C(=C/C(=C/c2cc(c(c(c2)C(C)(C)C)[O])C(C)(C)C)/C=C1C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C29H41O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h13-17H,1-12H3
• InChIKey: GNZDAXRYGVFYPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 2,6-Di-tert-butyl-α-(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-p-tolyloxy, free radical; Galvinoxyl, free radical; 2,6-二叔丁基-α-(3,5-二叔丁基-4-氧-2,5-环己二烯亚基)-对甲苯氧基, 自由基; 加尔万氧基自由基

Database IDs

• CAS Number: 2370-18-5
• MDL Number: MFCD00001616
• PubChem SID: 24895112; 162240969
• PubChem CID: 2723634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.1268
• LogD (pH = 7.4): 9.1268
• Log P: 9.1268
• Molar Refractivity: 146.3552 cm^3
• Polarizability: 51.4419 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 158-159 °C(lit.)

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C29H41O2

DETAILS

Sigma Aldrich - G307

Application
Free radical and free-radical scavenger.
Packaging
1 g in glass bottle