tert-butyl 2-(2-chloroethoxy)acetate

• ChemBase ID: 163167
• Molecular Formular: C8H15ClO3
• Molecular Mass: 194.6559
• Monoisotopic Mass: 194.07097202
• SMILES: ClCCOCC(=O)OC(C)(C)C
• Canonical SMILES: ClCCOCC(=O)OC(C)(C)C
• InChI: InChI=1S/C8H15ClO3/c1-8(2,3)12-7(10)6-11-5-4-9/h4-6H2,1-3H3
• InChIKey: WMVRQEMWJYRSNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(2-chloroethoxy)acetate
• IUPAC Traditional name: tert-butyl 2-(2-chloroethoxy)acetate
• Synonyms: (2-Chloroethoxy)-acetic Acid 1,1-Dimethylethyl Ester; tert-Butyl 2-(2-Chloroethoxy)acetate

Database IDs

• CAS Number: 73834-55-6
• PubChem SID: 162257302
• PubChem CID: 12573419

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4668763
• LogD (pH = 7.4): 1.4668763
• Log P: 1.4668763
• Molar Refractivity: 47.0151 cm^3
• Polarizability: 18.824076 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Clear Colourless Oil

Safety Information

• Storage Condition: Refrigerator