ol

• ChemBase ID: 136757
• Molecular Formular: C23H44NO4
• Molecular Mass: 398.59976
• Monoisotopic Mass: 398.32703389
• SMILES: CCCCCCC1(N(C(CO1)(C)C)[O])CCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCC1(CCCCCCCCCCC(=O)OC)OCC(N1[O])(C)C
• InChI: InChI=1S/C23H44NO4/c1-5-6-7-15-18-23(24(26)22(2,3)20-28-23)19-16-13-11-9-8-10-12-14-17-21(25)27-4/h5-20H2,1-4H3
• InChIKey: JJBQJGSYLSZDNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 2-Hexyl-2-(11-methoxy-11-oxoundecyl)-4,4-dimethyl-3-oxazolidinyloxy, free radical; 2-Hexyl-2-(11-methoxy-11-oxoundecyl)-4,4-dimethyl-3-oxazolidinyloxy; Methyl 12-DOXYL-stearate, free radical; 2-己基-2-(11-甲氧基-11-氧十一烷基)-4,4-二甲基-3-噁唑烷基氧基; 2-己基-2-(11-甲氧基-11-氧十一烷基)-4,4-二甲基-3-噁唑烷基氧基自由基; 甲基 12-DOXYL-硬脂酸盐自由基

Database IDs

• CAS Number: 29639-21-2
• MDL Number: MFCD00010065
• PubChem SID: 162231026
• PubChem CID: 2724320

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.455398
• LogD (pH = 7.4): 6.455398
• Log P: 6.455398
• Molar Refractivity: 113.3265 cm^3
• Polarizability: 45.53711 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235 °F

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C23H45NO4

DETAILS

Sigma Aldrich - 253588

Features and Benefits
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