triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane

• ChemBase ID: 100438
• Molecular Formular: C18H19F21O3Si
• Molecular Mass: 710.3936272
• Monoisotopic Mass: 710.07681362
• SMILES: [Si](OCC)(OCC)(OCC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: CCO[Si](CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC
• InChI: InChI=1S/C18H19F21O3Si/c1-4-40-43(41-5-2,42-6-3)8-7-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-8H2,1-3H3
• InChIKey: KWEUJTRPCBXYLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
• IUPAC Traditional name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
• Synonyms: (1H,1H,2H,2H-Perfluorododec-1-yl)tris(ethoxy)silane

Database IDs

• CAS Number: 146090-84-8
• MDL Number: MFCD00042335
• PubChem SID: 162086307
• PubChem CID: 2782916

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 10.3565
• LogD (pH = 7.4): 10.3565
• Log P: 10.3565
• Molar Refractivity: 92.7495 cm^3
• Polarizability: 37.97129 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 107-108°C/0.4mm
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant