3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

• ChemBase ID: 340291
• Molecular Formular: C14H17NO4
• Molecular Mass: 263.28908
• Monoisotopic Mass: 263.11575803
• SMILES: N1(C(=O)OC(C1=O)(C)C)CCOCc1ccccc1
• Canonical SMILES: O=C1OC(C(=O)N1CCOCc1ccccc1)(C)C
• InChI: InChI=1S/C14H17NO4/c1-14(2)12(16)15(13(17)19-14)8-9-18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
• InChIKey: GHTDMRGDINVZSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: 3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• Synonyms: 3-[2-(benzyloxy)ethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.181644
• LogD (pH = 7.4): 2.181644
• Log P: 2.181644
• Molar Refractivity: 68.8563 cm^3
• Polarizability: 27.023655 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.45
• LOG S: -3.21
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5