3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate

• ChemBase ID: 139240
• Molecular Formular: C12H24O4Si
• Molecular Mass: 260.40206
• Monoisotopic Mass: 260.14438578
• SMILES: CCO[Si](C)(CCCOC(=O)C(=C)C)OCC
• Canonical SMILES: CCO[Si](OCC)(CCCOC(=O)C(=C)C)C
• InChI: InChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)10-8-9-14-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
• InChIKey: DOYKFSOCSXVQAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate
• IUPAC Traditional name: 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate
• Synonyms: (3-Methacryloyloxypropyl)methyl-diethoxysilane; 3-(Methyldiethoxysilyl)propyl methacrylate; 3-(Diethoxymethylsilyl)propyl methacrylate; 3-(甲基二乙氧基甲硅烷基)丙基甲基丙烯酸酯; 3-甲基丙烯酰氧基丙基)甲基二乙氧基硅烷; 3-(二乙氧基甲基甲硅烷基)丙基甲基丙烯酸酯

Database IDs

• CAS Number: 65100-04-1
• EC Number: 242-185-2
• MDL Number: MFCD00053879
• PubChem SID: 162233488; 24883159
• PubChem CID: 2759529

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5218
• LogD (pH = 7.4): 2.5218
• Log P: 2.5218
• Molar Refractivity: 64.7134 cm^3
• Polarizability: 27.694326 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 197.6 °F; 92 °C
• Density: 0.965 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.433

Safety Information

• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• RID/ADR: UN 2987 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C12H24O4Si