2,2,3,3,4,4,5,5-octafluoro-6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate

• ChemBase ID: 6530
• Molecular Formular: C14H14F8O4
• Molecular Mass: 398.2457856
• Monoisotopic Mass: 398.07643469
• SMILES: C(C(COC(=O)C(=C)C)(F)F)(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H14F8O4/c1-7(2)9(23)25-5-11(15,16)13(19,20)14(21,22)12(17,18)6-26-10(24)8(3)4/h1,3,5-6H2,2,4H3
• InChIKey: JTNUTCQSBBMBTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoro-6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoro-6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate
• Synonyms: 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexyl dimethacrylate; 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-dimethacrylate

Database IDs

• CAS Number: 66818-54-0
• MDL Number: MFCD00078359
• PubChem SID: 160969837
• PubChem CID: 2775865

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.246496
• LogD (pH = 7.4): 5.246496
• Log P: 5.246496
• Molar Refractivity: 69.5382 cm^3
• Polarizability: 26.701696 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%