trimethyl(3-methyl-4-[(trimethylsilyl)oxy]phenoxy)silane

• ChemBase ID: 295787
• Molecular Formular: C13H24O2Si2
• Molecular Mass: 268.49946
• Monoisotopic Mass: 268.13148307
• SMILES: Cc1cc(ccc1O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: Cc1cc(ccc1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C13H24O2Si2/c1-11-10-12(14-16(2,3)4)8-9-13(11)15-17(5,6)7/h8-10H,1-7H3
• InChIKey: IPYOHMJSEPFQSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(3-methyl-4-[(trimethylsilyl)oxy]phenoxy)silane
• IUPAC Traditional name: trimethyl(3-methyl-4-[(trimethylsilyl)oxy]phenoxy)silane
• Synonyms: 2,5-Bis(trimethylsiloxy)toluene; 2-Methyl-1,4-bis(trimethylsiloxy)benzene; 2-甲基-1,4-双(三甲基硅氧基)苯

Database IDs

• CAS Number: 78018-53-8
• MDL Number: MFCD02683083
• PubChem SID: 180681318
• PubChem CID: 12691803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.924
• LogD (pH = 7.4): 4.924
• Log P: 4.924
• Molar Refractivity: 67.3128 cm^3
• Polarizability: 30.362114 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%