3-(trimethylsilyl)propanoic acid

• ChemBase ID: 108089
• Molecular Formular: C6H14O2Si
• Molecular Mass: 146.25966
• Monoisotopic Mass: 146.07630622
• SMILES: C[Si](C)(C)CCC(=O)O
• Canonical SMILES: OC(=O)CC[Si](C)(C)C
• InChI: InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
• InChIKey: NONFLFDSOSZQHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethylsilyl)propanoic acid
• IUPAC Traditional name: trimethylsilyl propanoic acid
• Synonyms: 3-TRIMETHYLSILYLPROPIONIC ACID; 3-Trimethylsilylpropanoate; 3-(Trimethylsilyl)propionic acid; 2,2-Dimethyl-2-silapentan-5-oic acid; Trimethylsilyl propanoic acid

Database IDs

• CAS Number: 5683-30-7
• PubChem SID: 162095466
• PubChem CID: 79764
• Chemspider ID: 72062
• Wikipedia Title: Trimethylsilyl_propanoic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.6383324
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9706354
• LogD (pH = 7.4): -0.82544136
• Log P: 1.8876
• Molar Refractivity: 33.0296 cm^3
• Polarizability: 15.248168 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid

DETAILS

MP Biomedicals - 05206043

MP Biomedicals Rare Chemical collection