2-methylprop-2-en-1-yl 2-methylprop-2-enoate

• ChemBase ID: 109121
• Molecular Formular: C8H12O2
• Molecular Mass: 140.17968
• Monoisotopic Mass: 140.08372962
• SMILES: CC(=C)COC(=O)C(=C)C
• Canonical SMILES: CC(=C)COC(=O)C(=C)C
• InChI: InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h1,3,5H2,2,4H3
• InChIKey: TVBLIEXOPWWREN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-en-1-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-methylprop-2-en-1-yl 2-methylprop-2-enoate
• Synonyms: METHALLYL METHACRYLATE

Database IDs

• CAS Number: 816-74-0
• PubChem SID: 162094785
• PubChem CID: 229993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2823362
• LogD (pH = 7.4): 2.2823362
• Log P: 2.2823362
• Molar Refractivity: 39.8623 cm^3
• Polarizability: 15.744822 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 157°C

Safety Information

• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05209920

MP Biomedicals Rare Chemical collection