2,2,4,6,6-pentamethyl-4-(3,3,3-trifluoropropyl)-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 99796
• Molecular Formular: C10H25F3O2Si3
• Molecular Mass: 318.5560096
• Monoisotopic Mass: 318.1114443
• SMILES: [Si](O[Si](O[Si](C)(C)C)(CCC(F)(F)F)C)(C)(C)C
• Canonical SMILES: FC(CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)(F)F
• InChI: InChI=1S/C10H25F3O2Si3/c1-16(2,3)14-18(7,15-17(4,5)6)9-8-10(11,12)13/h8-9H2,1-7H3
• InChIKey: SVWGMNVDRHEOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,6,6-pentamethyl-4-(3,3,3-trifluoropropyl)-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 2,2,4,6,6-pentamethyl-4-(3,3,3-trifluoropropyl)-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: 3-(3,3,3-Trifluoropropyl)heptamethyltrisiloxane 97%

Database IDs

• CAS Number: 27703-88-4
• MDL Number: MFCD00236727
• PubChem SID: 162086044
• PubChem CID: 2778751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5011
• LogD (pH = 7.4): 4.5011
• Log P: 4.5011
• Molar Refractivity: 59.0913 cm^3
• Polarizability: 28.709465 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 66-68°C/10mm

Safety Information

• Storage Warning: Corrosive