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

• ChemBase ID: 83347
• Molecular Formular: C7H10O3
• Molecular Mass: 142.1525
• Monoisotopic Mass: 142.06299418
• SMILES: O=C(OCCOCC#C)C
• Canonical SMILES: CC(=O)OCCOCC#C
• InChI: InChI=1S/C7H10O3/c1-3-4-9-5-6-10-7(2)8/h1H,4-6H2,2H3
• InChIKey: ZIDKQTPGMKPXTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00831173
• PubChem SID: 162070465
• PubChem CID: 2780140

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.10365588
• LogD (pH = 7.4): 0.10365588
• Log P: 0.10365588
• Molar Refractivity: 36.0365 cm^3
• Polarizability: 14.02833 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true