triethoxy(pent-2-en-1-yl)silane

• ChemBase ID: 134833
• Molecular Formular: C11H24O3Si
• Molecular Mass: 232.39196
• Monoisotopic Mass: 232.14947116
• SMILES: CC/C=C/C[Si](OCC)(OCC)OCC
• Canonical SMILES: CC/C=C/C[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C11H24O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h9-10H,5-8,11H2,1-4H3
• InChIKey: NKOASXOHUZFMGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(pent-2-en-1-yl)silane
• IUPAC Traditional name: triethoxy(pent-2-en-1-yl)silane
• Synonyms: 1-(Triethoxysilyl)-2-pentene; 1-(三乙氧基甲硅烷基)-2-戊烯

Database IDs

• CAS Number: 698999-32-5
• PubChem SID: 24881403; 162229109
• PubChem CID: 23269408

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.117
• LogD (pH = 7.4): 3.117
• Log P: 3.117
• Molar Refractivity: 60.2728 cm^3
• Polarizability: 25.760406 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 213-214 °C(lit.)
• Flash Point: 185 °F; 85 °C
• Density: 0.892 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4170(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

• Linear Formula: (C2H5O)3SiCH2CH=CHCH2CH3