6-{[bis({[6,6,7,7,8,8,8-heptafluoro-2,2-bis(2H3)methyl-5-oxo(2H4)oct-3-en-3-yl]oxy})europio]oxy}-1,1,1,2,2,3,3-heptafluoro-7,7-bis(2H3)methyl(2H4)oct-5-en-4-one

• ChemBase ID: 158130
• Molecular Formular: C30H30EuF21O6
• Molecular Mass: 1037.4860672
• Monoisotopic Mass: 1038.0919363
• SMILES: C(=C(\O[Eu](O/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)/C(C)(C)C)/C(=O)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(\C(C)(C)C)/O[Eu](O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C
• InChI: InChI=1S/3C10H11F7O2.Eu/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/b5-4+;5-4-
• InChIKey: PTQJQBFRLLGICD-YWBNNJCGSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[bis({[6,6,7,7,8,8,8-heptafluoro-2,2-bis(^2H₃)methyl-5-oxo(^2H₄)oct-3-en-3-yl]oxy})europio]oxy}-1,1,1,2,2,3,3-heptafluoro-7,7-bis(^2H₃)methyl(^2H₄)oct-5-en-4-one
• IUPAC Traditional name: 6-{[bis({[6,6,7,7,8,8,8-heptafluoro-2,2-bis(^2H₃)methyl-5-oxo(^2H₄)oct-3-en-3-yl]oxy})europio]oxy}-1,1,1,2,2,3,3-heptafluoro-7,7-bis(^2H₃)methyl(^2H₄)oct-5-en-4-one
• Synonyms: Eu(fod)3-d30; Europium(III)-tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionate)-d30; Resolve-Al™ EuFOD-d30; 铕(III)-三(1,1,1,2,2,3,3-七氟-7,7-二甲基-4,6-辛二酮)-d30

Database IDs

• CAS Number: 56689-47-5
• MDL Number: MFCD01863037
• PubChem SID: 162252266
• PubChem CID: 71312626

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 13.5285
• LogD (pH = 7.4): 13.5285
• Log P: 13.5285
• Molar Refractivity: 153.4944 cm^3
• Polarizability: 62.30997 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Grade: for NMR spectroscopy; purum p.a.
• Empirical Formula (Hill Notation): C30D30EuF21O6

DETAILS

Sigma Aldrich - 46146

Legal Information
Resolve-Al is a trademark of Sigma-Aldrich Co. LLC