2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

• ChemBase ID: 99711
• Molecular Formular: C16H28F12O4Si4
• Molecular Mass: 624.7139584
• Monoisotopic Mass: 624.08730414
• SMILES: [Si]1(O[Si](C)(CCC(F)(F)F)O[Si](CCC(F)(F)F)(C)O[Si](O1)(CCC(F)(F)F)C)(CCC(F)(F)F)C
• Canonical SMILES: FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(F)F
• InChI: InChI=1S/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3
• InChIKey: XOVNCWWRDSAYNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• IUPAC Traditional name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• Synonyms: Tetramethyl tetra-3-trifluoropropyl cyclotetrasiloxane

Database IDs

• MDL Number: MFCD00069177
• PubChem SID: 162085968
• PubChem CID: 67934

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.8932
• LogD (pH = 7.4): 5.8932
• Log P: 5.8932
• Molar Refractivity: 92.242 cm^3
• Polarizability: 42.73881 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant