tert-butyl[(1-methoxyethenyl)oxy]dimethylsilane

• ChemBase ID: 147814
• Molecular Formular: C9H20O2Si
• Molecular Mass: 188.3394
• Monoisotopic Mass: 188.12325641
• SMILES: CC(C)(C)[Si](C)(C)OC(=C)OC
• Canonical SMILES: COC(=C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C9H20O2Si/c1-8(10-5)11-12(6,7)9(2,3)4/h1H2,2-7H3
• InChIKey: UVCCWXJGWMGZAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[(1-methoxyethenyl)oxy]dimethylsilane
• IUPAC Traditional name: tert-butyl[(1-methoxyethenyl)oxy]dimethylsilane
• Synonyms: 1-(tert-Butyldimethylsilyloxy)-1-methoxyethene; 1-(叔丁基二甲基硅氧基)-1-甲氧基乙烯

Database IDs

• CAS Number: 77086-38-5
• MDL Number: MFCD02683524
• PubChem SID: 24874073; 162241997
• PubChem CID: 4564491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0253
• LogD (pH = 7.4): 3.0253
• Log P: 3.0253
• Molar Refractivity: 57.8313 cm^3
• Polarizability: 21.380167 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62 °C/9 mmHg(lit.)
• Flash Point: 125.6 °F; 52 °C
• Density: 0.863 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.429(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: (CH3)3CSi(CH3)2OC(OCH3)=CH2

DETAILS

Sigma Aldrich - 519324

Packaging
1, 10 g in glass bottle