11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,16,16,17,17,18,18,19,19,20,20,21,21,21-hexacosafluoro-9,9,11,13,13-pentamethyl-10,12-dioxa-9,11,13-trisilahenicosane

• ChemBase ID: 94717
• Molecular Formular: C21H23ClF26O2Si3
• Molecular Mass: 921.0741032
• Monoisotopic Mass: 920.02792097
• SMILES: [Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O[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)Cl)(C)C
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Si](O[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(Cl)C)(C)C)F
• InChI: InChI=1S/C21H23ClF26O2Si3/c1-51(2,8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)49-53(5,22)50-52(3,4)9-7-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h6-9H2,1-5H3
• InChIKey: OYYHZXTWPXQWOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,16,16,17,17,18,18,19,19,20,20,21,21,21-hexacosafluoro-9,9,11,13,13-pentamethyl-10,12-dioxa-9,11,13-trisilahenicosane
• IUPAC Traditional name: 11-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6,16,16,17,17,18,18,19,19,20,20,21,21,21-hexacosafluoro-9,9,11,13,13-pentamethyl-10,12-dioxa-9,11,13-trisilahenicosane
• Synonyms: Bis[(1H,1H,2H,2H-perfluorooctyl)dimethylsiloxy]chloromethylsilane

Database IDs

• CAS Number: 521069-01-2
• MDL Number: MFCD03412141
• PubChem SID: 162081371
• PubChem CID: 45933609

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 14.699
• LogD (pH = 7.4): 14.699
• Log P: 14.699
• Molar Refractivity: 115.2708 cm^3
• Polarizability: 50.19305 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 122-124°C/1.6mm
• Density: 1.437

Safety Information

• Storage Warning: Corrosive

DETAILS

Apollo Scientific Ltd - PC2240

Silylation reagent for fluorous phase synthesis