cyclohexane; silanone

• ChemBase ID: 138438
• Molecular Formular: C6H14OSi
• Molecular Mass: 130.26026
• Monoisotopic Mass: 130.0813916
• SMILES: C1CCCCC1.O=[SiH2]
• Canonical SMILES: C1CCCCC1.[SiH2]=O
• InChI: InChI=1S/C6H12.H2OSi/c1-2-4-6-5-3-1;1-2/h1-6H2;2H2
• InChIKey: UGXGSRLXMIERRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexane; silanone
• IUPAC Traditional name: cyclohexane; silicon monoxide
• Synonyms: Cyclohexyl-functionalized silica gel; 环己基官能化硅胶

Database IDs

• MDL Number: MFCD03098597
• PubChem SID: 162232694
• PubChem CID: 45052169

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.667412
• LogD (pH = 7.4): 2.667412
• Log P: 2.667412
• Molar Refractivity: 27.606 cm^3
• Polarizability: 11.082252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• 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: 10% carbon loading