tert-butyldimethyl(oxiran-2-ylmethoxy)silane

• ChemBase ID: 151045
• Molecular Formular: C9H20O2Si
• Molecular Mass: 188.3394
• Monoisotopic Mass: 188.12325641
• SMILES: CC(C)(C)[Si](C)(C)OCC1CO1
• Canonical SMILES: CC([Si](OCC1OC1)(C)C)(C)C
• InChI: InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3
• InChIKey: YANSSVVGZPNSKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethyl(oxiran-2-ylmethoxy)silane
• IUPAC Traditional name: tert-butyldimethyl(oxiran-2-ylmethoxy)silane
• Synonyms: tert-Butyldimethylsilyl glycidyl ether; 叔丁基二甲基甲硅烷基缩水甘油醚

Database IDs

• CAS Number: 78906-15-7
• MDL Number: MFCD02683555
• PubChem SID: 24874536; 162245204
• PubChem CID: 3605359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0262
• LogD (pH = 7.4): 2.0262
• Log P: 2.0262
• Molar Refractivity: 46.8541 cm^3
• Polarizability: 20.896877 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 195-197 °C(lit.)
• Flash Point: 158 °F; 70 °C
• Density: 0.901 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.531(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C9H20O2Si

DETAILS

Sigma Aldrich - 526134

Packaging
10 g in glass bottle