dysprosium(3+) ion tris((3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)

• ChemBase ID: 295736
• Molecular Formular: C30H30DyF21O6
• Molecular Mass: 1048.0220672
• Monoisotopic Mass: 1049.0998803
• SMILES: CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/[O-].CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/[O-].CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/[O-].[Dy+3]
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(/C(C)(C)C)\[O-].[Dy+3]
• InChI: InChI=1S/3C10H11F7O2.Dy/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-
• InChIKey: YGHBDHIMYCLNCZ-VNGPFPIXSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: dysprosium(3+) ion tris((3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
• IUPAC Traditional name: dysprosium(3+) ion tris((3Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate)
• Synonyms: Dysprosium-fod; Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)dysprosium(III); 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5- 辛烯二酮)镝(III)

Database IDs

• CAS Number: 18323-98-3
• EC Number: 242-213-3
• MDL Number: MFCD00010463
• PubChem SID: 180681267
• PubChem CID: 73995065

CALCULATED PROPERTIES

• Acid pKa: 7.5973406
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.140154
• LogD (pH = 7.4): 3.930218
• Log P: 4.14361
• Molar Refractivity: 62.9295 cm^3
• Polarizability: 18.621073 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 184-186°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%