1-ethyladamantane; silanone

• ChemBase ID: 138537
• Molecular Formular: C12H22OSi
• Molecular Mass: 210.38798
• Monoisotopic Mass: 210.14399186
• SMILES: CCC12CC3CC(C1)CC(C3)C2.O=[SiH2]
• Canonical SMILES: CCC12CC3CC(C2)CC(C1)C3.[SiH2]=O
• InChI: InChI=1S/C12H20.H2OSi/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2/h9-11H,2-8H2,1H3;2H2
• InChIKey: KVOLBPZSJVTMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyladamantane; silanone
• IUPAC Traditional name: 1-ethyladamantane; silicon monoxide
• Synonyms: Adamantyl-2 functionalized silica gel; 2-(1-Adamantyl)ethyl-functionalized silica gel; 金刚烷基-2官能化硅胶; 2-(1-金刚烷基)乙基-官能化硅胶

Database IDs

• MDL Number: MFCD03095864
• PubChem SID: 162232792
• PubChem CID: 45052170

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6326523
• LogD (pH = 7.4): 3.6326523
• Log P: 3.6326523
• Molar Refractivity: 51.2721 cm^3
• Polarizability: 20.677776 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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: 16% carbon loading