triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane

• ChemBase ID: 99853
• Molecular Formular: C20H19F25O3Si
• Molecular Mass: 810.40864
• Monoisotopic Mass: 810.0704265
• SMILES: [Si](CCC(C(C(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)(F)F)(F)F)(OCC)(OCC)OCC
• Canonical SMILES: CCO[Si](CCC(C(C(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)(F)F)(F)F)(OCC)OCC
• InChI: InChI=1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h4-8H2,1-3H3
• InChIKey: CBZXLVMVIMSMCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
• IUPAC Traditional name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
• Synonyms: (1H,1H,2H,2H-Perfluorotetradecyl)tris(ethoxy)silane

Database IDs

• CAS Number: 885275-56-9
• MDL Number: MFCD07368765
• PubChem SID: 162086100
• PubChem CID: 2782917

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 12.0255
• LogD (pH = 7.4): 12.0255
• Log P: 12.0255
• Molar Refractivity: 102.0855 cm^3
• Polarizability: 41.72283 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 46-47°C
• Boiling Point: 127-128°C/0.2mm

Safety Information

• Storage Warning: Irritant/Moisture Sensitive/Store under Argon