2-[tris(propan-2-yl)silyl]-1,3-oxazole

• ChemBase ID: 65201
• Molecular Formular: C12H23NOSi
• Molecular Mass: 225.40262
• Monoisotopic Mass: 225.15489089
• SMILES: o1ccnc1[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](c1ncco1)(C(C)C)C(C)C)C
• InChI: InChI=1S/C12H23NOSi/c1-9(2)15(10(3)4,11(5)6)12-13-7-8-14-12/h7-11H,1-6H3
• InChIKey: PBDIANQBYUQMPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[tris(propan-2-yl)silyl]-1,3-oxazole
• IUPAC Traditional name: 2-(triisopropylsilyl)-1,3-oxazole
• Synonyms: 2-Triisopropylsilyloxazole

Database IDs

• CAS Number: 433332-27-5
• MDL Number: MFCD17169832
• PubChem SID: 162030940
• PubChem CID: 59596016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0457916
• LogD (pH = 7.4): 4.0457997
• Log P: 4.0458
• Molar Refractivity: 60.1017 cm^3
• Polarizability: 25.810625 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%