ethyl 2-(propan-2-yloxy)acetate

• ChemBase ID: 236327
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: C(=O)(COC(C)C)OCC
• Canonical SMILES: CCOC(=O)COC(C)C
• InChI: InChI=1S/C7H14O3/c1-4-9-7(8)5-10-6(2)3/h6H,4-5H2,1-3H3
• InChIKey: JECQALZMHMNOLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(propan-2-yloxy)acetate
• IUPAC Traditional name: ethyl 2-isopropoxyacetate
• Synonyms: ethyl 2-(propan-2-yloxy)acetate

Database IDs

• MDL Number: MFCD10690308
• PubChem SID: 164292237
• PubChem CID: 537908

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8786177
• LogD (pH = 7.4): 0.8786177
• Log P: 0.8786177
• Molar Refractivity: 37.7822 cm^3
• Polarizability: 15.110173 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.184

Product Information

• Purity: 95%