4-({bis[(4-oxopent-2-en-2-yl)oxy]dysprosio}oxy)pent-3-en-2-one

• ChemBase ID: 137444
• Molecular Formular: C15H21DyO6
• Molecular Mass: 459.82364
• Monoisotopic Mass: 461.06298739
• SMILES: C/C(=C/C(=O)C)/O[Dy](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C/C(=O)C)/O[Dy](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C
• InChI: InChI=1S/3C5H8O2.Dy/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
• InChIKey: XAFBAJHTAGCGOH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]dysprosio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({bis[(4-oxopent-2-en-2-yl)oxy]dysprosio}oxy)pent-3-en-2-one
• Synonyms: Dy(acac)3; 2,4-Pentanedione dysprosium(III) derivative; Dysprosium(III) acetylacetonate hydrate; 2,4-戊二酮 镝(III) 衍生物; 乙酰丙酮镝(III) 水合物

Database IDs

• CAS Number: 18716-76-2
• MDL Number: MFCD00013489
• PubChem SID: 162231706
• PubChem CID: 71310049

CALCULATED PROPERTIES

• Acid pKa: 18.943684
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0569
• LogD (pH = 7.4): 1.0569
• Log P: 1.0569
• Molar Refractivity: 82.2747 cm^3
• Polarizability: 36.473225 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125-130 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 63-20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H361
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9%
• Linear Formula: Dy(C5H7O2)3 · xH2O