butane; silanone

• ChemBase ID: 144806
• Molecular Formular: C4H12OSi
• Molecular Mass: 104.22298
• Monoisotopic Mass: 104.06574154
• SMILES: CCCC.O=[SiH2]
• Canonical SMILES: CCCC.[SiH2]=O
• InChI: InChI=1S/C4H10.H2OSi/c1-3-4-2;1-2/h3-4H2,1-2H3;2H2
• InChIKey: XXJCAKJEQPEKKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane; silanone
• IUPAC Traditional name: butane; silicon monoxide
• Synonyms: Butyl-functionalized silica gel; 丁基官能化硅胶

Database IDs

• MDL Number: MFCD00166182
• PubChem SID: 24879336; 162239018
• PubChem CID: 16217126

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2420006
• LogD (pH = 7.4): 2.2420006
• Log P: 2.2420006
• Molar Refractivity: 20.2062 cm^3
• Polarizability: 8.135983 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: 8% carbon loading

DETAILS

Sigma Aldrich - 553549

Packaging
10 g in glass bottle