tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

• ChemBase ID: 261782
• Molecular Formular: C11H20BrNO3
• Molecular Mass: 294.1854
• Monoisotopic Mass: 293.06265551
• SMILES: N1(C(=O)OC(C)(C)C)C(OCC1CBr)(C)C
• Canonical SMILES: BrCC1COC(N1C(=O)OC(C)(C)C)(C)C
• InChI: InChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3
• InChIKey: UTFPBVQWEAFHRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• IUPAC Traditional name: tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• Synonyms: tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Database IDs

• MDL Number: MFCD11041413
• PubChem SID: 164317692
• PubChem CID: 43810864

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.369263
• LogD (pH = 7.4): 2.369263
• Log P: 2.369263
• Molar Refractivity: 65.4336 cm^3
• Polarizability: 25.686739 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.689

Product Information

• Purity: 95%