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

• ChemBase ID: 279380
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: C(=O)(OC)COCC=C
• Canonical SMILES: COC(=O)COCC=C
• InChI: InChI=1S/C6H10O3/c1-3-4-9-5-6(7)8-2/h3H,1,4-5H2,2H3
• InChIKey: WTZZKRFPAXYNTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11197683
• PubChem SID: 164335290
• PubChem CID: 11973978

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.47967663
• LogD (pH = 7.4): 0.47967663
• Log P: 0.47967663
• Molar Refractivity: 33.0289 cm^3
• Polarizability: 13.032595 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.591

Product Information

• Purity: 95%