ethyl prop-2-en-1-yl carbonate

• ChemBase ID: 110934
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: CCOC(=O)OCC=C
• Canonical SMILES: CCOC(=O)OCC=C
• InChI: InChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3
• InChIKey: BGSFCOHRQUBESL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl prop-2-en-1-yl carbonate
• IUPAC Traditional name: ethyl prop-2-en-1-yl carbonate
• Synonyms: ALLYL ETHYL CARBONATE

Database IDs

• CAS Number: 557-31-3
• EC Number: 209-169-7
• PubChem SID: 162096504
• PubChem CID: 137020

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6298972
• LogD (pH = 7.4): 1.6298972
• Log P: 1.6298972
• Molar Refractivity: 32.9477 cm^3
• Polarizability: 13.032595 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• Risk Statements: R:10-25
• Safety Statements: S:16-28-29-36/37/39-45

DETAILS

MP Biomedicals - 05217072

MP Biomedicals Rare Chemical collection