5-(prop-2-enoyloxy)pentyl prop-2-enoate

• ChemBase ID: 293994
• Molecular Formular: C11H16O4
• Molecular Mass: 212.24234
• Monoisotopic Mass: 212.10485899
• SMILES: C=CC(=O)OCCCCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCCCCOC(=O)C=C
• InChI: InChI=1S/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2
• InChIKey: XAMCLRBWHRRBCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(prop-2-enoyloxy)pentyl prop-2-enoate
• IUPAC Traditional name: 5-(prop-2-enoyloxy)pentyl prop-2-enoate
• Synonyms: Pentane-1,5-diyl diacrylate

Database IDs

• CAS Number: 36840-85-4
• MDL Number: MFCD00078444
• PubChem SID: 180679525
• PubChem CID: 93195

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6747155
• LogD (pH = 7.4): 2.6747155
• Log P: 2.6747155
• Molar Refractivity: 56.263 cm^3
• Polarizability: 22.059841 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%