tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

• ChemBase ID: 163265
• Molecular Formular: C13H26O4Si
• Molecular Mass: 274.42864
• Monoisotopic Mass: 274.16003584
• SMILES: C1OC(OC1)(C)CCC(=O)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: O=C(O[Si](C(C)(C)C)(C)C)CCC1(C)OCCO1
• InChI: InChI=1S/C13H26O4Si/c1-12(2,3)18(5,6)17-11(14)7-8-13(4)15-9-10-16-13/h7-10H2,1-6H3
• InChIKey: FSZLWTXJJFRRNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
• IUPAC Traditional name: tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
• Synonyms: 2-Methyl-1,3-dioxolane-2-propanoic Acid (1,1-Dimethylethyl)dimethylsilyl Ester; tert-Butyldimethylsilyl-2-methyl-1,3-dioxolane-2-propionate

Database IDs

• CAS Number: 67226-75-9
• PubChem SID: 162257400
• PubChem CID: 12448484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6221
• LogD (pH = 7.4): 2.6221
• Log P: 2.6221
• Molar Refractivity: 67.6307 cm^3
• Polarizability: 29.056194 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Hexane
• Apperance: Colourless Oil