strontium(2+) ion bis(4-cyclohexylbutanoate)

• ChemBase ID: 303461
• Molecular Formular: C20H34O4Sr
• Molecular Mass: 426.10156
• Monoisotopic Mass: 426.15132157
• SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Sr+2]
• Canonical SMILES: [O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1.[Sr+2]
• InChI: InChI=1S/2C10H18O2.Sr/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
• InChIKey: JBJLAHGTZMLOAH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: strontium(2+) ion bis(4-cyclohexylbutanoate)
• IUPAC Traditional name: strontium(2+) ion bis(4-cyclohexylbutanoate)
• Synonyms: Cyclohexanebutyric acid strontium salt; Strontium 4-cyclohexylburate; Strontium cyclohexanebutyrate, AAS; 环己烷丁酸锶, AAS

Database IDs

• CAS Number: 62638-05-5
• EC Number: 263-668-4
• MDL Number: MFCD00050727

CALCULATED PROPERTIES

• Acid pKa: 5.0541363
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3894231
• LogD (pH = 7.4): 0.6476406
• Log P: 2.9678953
• Molar Refractivity: 58.4601 cm^3
• Polarizability: 18.819902 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 是