3-ethyl-7-oxabicyclo[4.1.0]heptane; silanone

• ChemBase ID: 138429
• Molecular Formular: C8H16O2Si
• Molecular Mass: 172.29694
• Monoisotopic Mass: 172.09195628
• SMILES: CCC1CCC2C(C1)O2.O=[SiH2]
• Canonical SMILES: CCC1CCC2C(C1)O2.O=[SiH2]
• InChI: InChI=1S/C8H14O.H2OSi/c1-2-6-3-4-7-8(5-6)9-7;1-2/h6-8H,2-5H2,1H3;2H2
• InChIKey: ZQZBEUCLTSBTJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-7-oxabicyclo[4.1.0]heptane; silanone
• IUPAC Traditional name: 3-ethyl-7-oxabicyclo[4.1.0]heptane; silicon monoxide
• Synonyms: Epoxycyclohexyl-2 functionalized silica gel; 2-(3,4-Epoxycyclohexyl)ethyl-functionalized silica gel; 环氧环己基-2官能化硅胶; 2-(3,4-环氧环己基)乙基官能化硅胶

Database IDs

• MDL Number: MFCD03454109
• PubChem SID: 162232685
• PubChem CID: 45052171

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0990813
• LogD (pH = 7.4): 2.0990813
• Log P: 2.0990813
• Molar Refractivity: 36.2765 cm^3
• Polarizability: 14.698139 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >330 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 0.8 mmol/g loading