ethyl 2-(prop-2-en-1-yloxy)acetate

• ChemBase ID: 270852
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(OCC)COCC=C
• Canonical SMILES: CCOC(=O)COCC=C
• InChI: InChI=1S/C7H12O3/c1-3-5-9-6-7(8)10-4-2/h3H,1,4-6H2,2H3
• InChIKey: JKVAFPAEVLWZIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(prop-2-en-1-yloxy)acetate
• IUPAC Traditional name: ethyl 2-(prop-2-en-1-yloxy)acetate
• Synonyms: ethyl 2-(prop-2-en-1-yloxy)acetate

Database IDs

• MDL Number: MFCD10693203
• PubChem SID: 164326762
• PubChem CID: 10630623

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.83648455
• LogD (pH = 7.4): 0.83648455
• Log P: 0.83648455
• Molar Refractivity: 37.7775 cm^3
• Polarizability: 14.862389 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.12

Product Information

• Purity: 95%