tert-butyl({[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy})dimethylsilane

• ChemBase ID: 145922
• Molecular Formular: C11H22O2Si
• Molecular Mass: 214.37668
• Monoisotopic Mass: 214.13890648
• SMILES: CC(C)(C)[Si](C)(C)OC(=C)/C=C/OC
• Canonical SMILES: CO/C=C/C(=C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C11H22O2Si/c1-10(8-9-12-5)13-14(6,7)11(2,3)4/h8-9H,1H2,2-7H3/b9-8+
• InChIKey: ZFQOHWZWPLWDDF-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl({[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy})dimethylsilane
• IUPAC Traditional name: tert-butyl({[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy})dimethylsilane
• Synonyms: trans-3-(tert-Butyldimethylsilyloxy)-1-methoxy-1,3-butadiene; 反式-3-(叔丁基二甲基硅氧基)-1-甲氧基-1,3-丁二烯

Database IDs

• CAS Number: 98066-22-9
• MDL Number: MFCD02093679
• PubChem SID: 162240122; 24873816
• PubChem CID: 6000481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3305
• LogD (pH = 7.4): 2.3305
• Log P: 2.3305
• Molar Refractivity: 58.7637 cm^3
• Polarizability: 24.824018 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 220-230 °C(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 0.9 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.465(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: 95%
• Linear Formula: (CH3)3CSi(CH3)2OC(=CH2)CH=CHOCH3

DETAILS

Sigma Aldrich - 515361

Packaging
5 g in glass bottle