trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

• ChemBase ID: 7264
• Molecular Formular: C11H13F13O3Si
• Molecular Mass: 468.2838616
• Monoisotopic Mass: 468.04263767
• SMILES: C(C(C(C(C(C(CC[Si](OC)(OC)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)OC
• InChI: InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
• InChIKey: BVQYIDJXNYHKRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorooctyltrimethoxysilane 97%; 1H,1H,2H,2H-Perfluorooctyltrimethoxysilane

Database IDs

• CAS Number: 85857-16-5
• MDL Number: MFCD00153261
• PubChem SID: 160970571
• PubChem CID: 2776334

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.991
• LogD (pH = 7.4): 5.991
• Log P: 5.991
• Molar Refractivity: 59.8317 cm^3
• Polarizability: 25.513514 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 88°C/13mm
• Density: 1.457
• Refractive Index: 1.335

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• TSCA Listed: false

Product Information

• Purity: 97%