ethyl 2-(but-3-en-1-yloxy)acetate

• ChemBase ID: 266177
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: C(=O)(OCC)COCCC=C
• Canonical SMILES: CCOC(=O)COCCC=C
• InChI: InChI=1S/C8H14O3/c1-3-5-6-10-7-8(9)11-4-2/h3H,1,4-7H2,2H3
• InChIKey: GUYSRRJLAXTUJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(but-3-en-1-yloxy)acetate
• IUPAC Traditional name: ethyl 2-(but-3-en-1-yloxy)acetate
• Synonyms: ethyl 2-(but-3-en-1-yloxy)acetate

Database IDs

• MDL Number: MFCD11197692
• PubChem SID: 164322087
• PubChem CID: 13005697

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1251458
• LogD (pH = 7.4): 1.1251458
• Log P: 1.1251458
• Molar Refractivity: 42.5325 cm^3
• Polarizability: 16.69539 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.449

Product Information

• Purity: 95%