tert-butyl(methoxy)diphenylsilane

• ChemBase ID: 148084
• Molecular Formular: C17H22OSi
• Molecular Mass: 270.44148
• Monoisotopic Mass: 270.14399186
• SMILES: CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC
• Canonical SMILES: CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H22OSi/c1-17(2,3)19(18-4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3
• InChIKey: QJIWETYVJNMVMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(methoxy)diphenylsilane
• IUPAC Traditional name: tert-butyl(methoxy)diphenylsilane
• Synonyms: tert-Butyldiphenylmethoxysilane; 叔丁基二苯基甲氧基硅烷

Database IDs

• CAS Number: 76358-47-9
• MDL Number: MFCD00011531
• PubChem SID: 162242261
• PubChem CID: 4712651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4504
• LogD (pH = 7.4): 5.4504
• Log P: 5.4504
• Molar Refractivity: 77.4978 cm^3
• Polarizability: 32.8029 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C17H22OSi