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

• ChemBase ID: 99282
• Molecular Formular: C15H13F21O3Si
• Molecular Mass: 668.3138872
• Monoisotopic Mass: 668.02986343
• SMILES: [Si](OC)(OC)(OC)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: CO[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)(OC)OC
• InChI: InChI=1S/C15H13F21O3Si/c1-37-40(38-2,39-3)5-4-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h4-5H2,1-3H3
• InChIKey: VQIWEYGMCDFBSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)trimethoxysilane
• IUPAC Traditional name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)trimethoxysilane
• Synonyms: 1-(Trimethoxysilyl)-1H,1H,2H,2H-perfluorododecane; 1H,1H,2H,2H-Perfluorododecyltrimethoxysilane

Database IDs

• PubChem SID: 162105256
• PubChem CID: 15651658

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 9.329
• LogD (pH = 7.4): 9.329
• Log P: 9.329
• Molar Refractivity: 78.5037 cm^3
• Polarizability: 33.032753 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant