strontium(2+) ion bis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

• ChemBase ID: 141391
• Molecular Formular: C22H38O4Sr
• Molecular Mass: 454.15472
• Monoisotopic Mass: 454.1826217
• SMILES: CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Sr+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[Sr+2]
• InChI: InChI=1S/2C11H20O2.Sr/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2
• InChIKey: WQTMVGGQTAPQJQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: strontium(2+) ion bis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate); strontium(2+) ion bis((3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
• IUPAC Traditional name: strontium(2+) ion bis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate); strontium(2+) ion bis((3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
• Synonyms: Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)strontium; Strontium tetramethylheptanedionate; Strontium-DPM; Strontium(II) bis(2,2,6,6-tetramethyl-3,5-heptanedionate); Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)strontium(II); 四甲基庚二酮酸锶; 双(2,2,6,6,-四甲基-3,5-庚二酮)锶(II)

Database IDs

• CAS Number: 36830-74-7
• MDL Number: MFCD00064758
• PubChem SID: 162235625
• PubChem CID: 6916879

CALCULATED PROPERTIES

• Acid pKa: 9.938291
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4095163
• LogD (pH = 7.4): 3.408277
• Log P: 3.4095323
• Molar Refractivity: 66.2857 cm^3
• Polarizability: 21.147709 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder, Packaged under argon
• Melting Point: 200°C; 210 °C
• Boiling Point: 230°C/0.7mm subl.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.9% trace metals basis; 99.99% (metals basis)
• Grade: anhydrous
• Empirical Formula (Hill Notation): C22H38O4Sr

DETAILS

Sigma Aldrich - 697524

General description
Atomic number of base material: 38 Strontium
Packaging
1 g in glass bottle