ol

• ChemBase ID: 137043
• Molecular Formular: C14H28NO2
• Molecular Mass: 242.37762
• Monoisotopic Mass: 242.21200414
• SMILES: CCCCCC1(N(C(CO1)(C)C)[O])CCCC
• Canonical SMILES: CCCCCC1(CCCC)OCC(N1[O])(C)C
• InChI: InChI=1S/C14H28NO2/c1-5-7-9-11-14(10-8-6-2)15(16)13(3,4)12-17-14/h5-12H2,1-4H3
• InChIKey: RESAASZTYZUQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 2-Butyl-4,4-dimethyl-2-pentyl-3-oxazolidinyloxy, free radical; 5-DOXYL-decane, free radical; 2-丁基-4,4-二甲基-2-戊基-3-噁唑烷基氧基自由基; 5-DOXYL-癸烷自由基

Database IDs

• CAS Number: 35203-80-6
• MDL Number: MFCD00011559
• PubChem SID: 162231308
• PubChem CID: 71310021

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0731964
• LogD (pH = 7.4): 4.0731964
• Log P: 4.0731964
• Molar Refractivity: 70.084 cm^3
• Polarizability: 28.197357 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C14H29NO2