2,2,4-trimethyl-1,4,2-oxazasilinane

• ChemBase ID: 76915
• Molecular Formular: C6H15NOSi
• Molecular Mass: 145.2749
• Monoisotopic Mass: 145.09229064
• SMILES: [Si]1(C)(CN(CCO1)C)C
• Canonical SMILES: CN1CCO[Si](C1)(C)C
• InChI: InChI=1S/C6H15NOSi/c1-7-4-5-8-9(2,3)6-7/h4-6H2,1-3H3
• InChIKey: GGPLWEZGITVTJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4-trimethyl-1,4,2-oxazasilinane
• IUPAC Traditional name: 2,2,4-trimethyl-1,4,2-oxazasilinane
• Synonyms: 2,2,4-Trimethyl-1,4,2-oxazasilinane

Database IDs

• CAS Number: 10196-49-3
• MDL Number: MFCD09263699
• PubChem SID: 162041814
• PubChem CID: 82445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.85806215
• LogD (pH = 7.4): 0.93296874
• Log P: 1.6696
• Molar Refractivity: 35.3502 cm^3
• Polarizability: 16.20396 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant