(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate

• ChemBase ID: 866334
• Molecular Formular: C10H16O4
• Molecular Mass: 200.23164
• Monoisotopic Mass: 200.10485899
• SMILES: CC(=C)C(=O)OCC1COC(C)(C)O1
• Canonical SMILES: CC(=C)C(=O)OCC1COC(O1)(C)C
• InChI: InChI=1S/C10H16O4/c1-7(2)9(11)12-5-8-6-13-10(3,4)14-8/h8H,1,5-6H2,2-4H3
• InChIKey: JPFPDGRVRGETED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
• IUPAC Traditional name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
• Synonyms: (2,2-diMethyl-1,3-dioxolan-4-yl)Methyl Methacrylate (GMAK); 2,2-二甲基-3-二氧基-丙烯酸甲酯

Database IDs

• CAS Number: 7098-80-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6897129
• LogD (pH = 7.4): 1.6897129
• Log P: 1.6897129
• Molar Refractivity: 50.8794 cm^3
• Polarizability: 20.370234 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true