{[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy}dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

• ChemBase ID: 94718
• Molecular Formular: C20H20F26OSi2
• Molecular Mass: 826.5016832
• Monoisotopic Mass: 826.06375204
• SMILES: FC(C(C(C(C(C(CC[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)C)F
• InChI: InChI=1S/C20H20F26OSi2/c1-48(2,7-5-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)47-49(3,4)8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h5-8H2,1-4H3
• InChIKey: TUKNJUVZUHUEOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy}dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: {[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy}dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: Bis(tridecafluoro-1,1,2,2-tetrahydrooctyl)tetramethyldisiloxane; Bis(1H,1H,2H,2H-perfluoroooctyl)tetramethyldisiloxane

Database IDs

• CAS Number: 71363-70-7
• MDL Number: MFCD00270970
• PubChem SID: 162081372
• PubChem CID: 24871541

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 13.7366
• LogD (pH = 7.4): 13.7366
• Log P: 13.7366
• Molar Refractivity: 102.459 cm^3
• Polarizability: 42.942787 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 81-82°C/11mm
• Flash Point: >110°C
• Density: 1.46

Safety Information

• Storage Warning: Irritant/Moisture Sensitive