(2S)-2-[(tert-butyldiphenylsilyl)oxy]propanal

• ChemBase ID: 141797
• Molecular Formular: C19H24O2Si
• Molecular Mass: 312.47816
• Monoisotopic Mass: 312.15455654
• SMILES: C[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: O=C[C@@H](O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C19H24O2Si/c1-16(15-20)21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/t16-/m0/s1
• InChIKey: RRMPJLZPEZKPND-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(tert-butyldiphenylsilyl)oxy]propanal
• IUPAC Traditional name: (2S)-2-[(tert-butyldiphenylsilyl)oxy]propanal
• Synonyms: (S)-2-(tert-Butyldiphenylsilyloxy)propanal; (S)-2-(tert-Butyldiphenylsilanyloxy)propionaldehyde; (S)-2-(叔丁基二苯基硅氧基)丙醛; (S)-2-(叔丁基二苯基硅烷氧基)丙醛

Database IDs

• CAS Number: 87696-33-1
• MDL Number: MFCD15143654
• Beilstein Number: 4192984
• PubChem SID: 162236031
• PubChem CID: 10828944

CALCULATED PROPERTIES

• Acid pKa: 16.22092
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1179
• LogD (pH = 7.4): 5.1179
• Log P: 5.1179
• Molar Refractivity: 87.1509 cm^3
• Polarizability: 36.52714 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Optical Rotation: [α]/D -17±3°, c = 1 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C19H24O2Si

DETAILS

Sigma Aldrich - 712914

Packaging
500 mg in glass bottle