[(1E)-buta-1,3-dien-1-yloxy]triethylsilane

• ChemBase ID: 139038
• Molecular Formular: C10H20OSi
• Molecular Mass: 184.3507
• Monoisotopic Mass: 184.12834179
• SMILES: CC[Si](CC)(CC)O/C=C/C=C
• Canonical SMILES: CC[Si](O/C=C/C=C)(CC)CC
• InChI: InChI=1S/C10H20OSi/c1-5-9-10-11-12(6-2,7-3)8-4/h5,9-10H,1,6-8H2,2-4H3/b10-9+
• InChIKey: OPEGYIVFJNBLRP-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1E)-buta-1,3-dien-1-yloxy]triethylsilane
• IUPAC Traditional name: [(1E)-buta-1,3-dien-1-yloxy]triethylsilane
• Synonyms: 1-Triethylsiloxy-1,3-butadiene (cis+trans); 1-三乙基硅氧基-1,3-丁二烯（顺式和反式）

Database IDs

• CAS Number: 79746-17-1
• MDL Number: MFCD00134464
• Beilstein Number: 4367953
• PubChem SID: 162233289
• PubChem CID: 6175546

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.6167
• Log P: 3.6167
• Molar Refractivity: 52.5604 cm^3
• Polarizability: 22.305267 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6167

PROPERTIES

Physical Property

• Boiling Point: 120-125 °C(lit.)
• Flash Point: 154.4 °F; 68 °C
• Density: 0.853 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.465(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CH2=CHCH=CHOSi(CH2CH3)3