1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-alpha-(2-methylpropyl)-5-oxo-, pentafluorophenyl ester, (alphaR,4S)-

Base Information

• Chemical Name: 1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-alpha-(2-methylpropyl)-5-oxo-, pentafluorophenyl ester, (alphaR,4S)-
• CAS No.: 157518-71-3
• Molecular Formula: C₁₇H₁₇F₅O₅
• Molecular Weight: 396.311
• DSSTox Substance ID: DTXSID601112232

Synonyms:SCHEMBL1609717;DTXSID601112232;1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-alpha-(2-methylpropyl)-5-oxo-, pentafluorophenyl ester, (alphaR,4S)-;157518-71-3

Chemical Property of 1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-alpha-(2-methylpropyl)-5-oxo-, pentafluorophenyl ester, (alphaR,4S)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 396.09961445
• Heavy Atom Count: 27
• Complexity: 556

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C1C(=O)OC(O1)(C)C)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
• Isomeric SMILES: CC(C)C[C@H]([C@H]1C(=O)OC(O1)(C)C)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

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