1-methoxy-2-methyl-1-oxopropan-2-yl

• ChemBase ID: 129037
• Molecular Formular: C5H9O2
• Molecular Mass: 101.12376
• Monoisotopic Mass: 101.06025453
• SMILES: C[C](C)C(=O)OC
• Canonical SMILES: COC(=O)[C](C)C
• InChI: InChI=1S/C5H9O2/c1-4(2)5(6)7-3/h1-3H3
• InChIKey: PMAMJWJDBDSDHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-methyl-1-oxopropan-2-yl
• IUPAC Traditional name: poly(methyl methacrylate)
• Synonyms: Poly(methyl methacrylate) (PMMA); methyl methacrylate resin; Poly(methyl methacrylate)

Database IDs

• CAS Number: 9011-14-7
• PubChem SID: 162223338
• PubChem CID: 3032549
• Chemspider ID: NA
• KEGG ID: C19504
• Wikipedia Title: Poly(methyl_methacrylate)

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9078
• LogD (pH = 7.4): 1.9078
• Log P: 1.9078
• Molar Refractivity: 25.4926 cm^3
• Polarizability: 10.595265 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform (poor)
• Density: 1.18 g/cm^3
• Refractive Index: 1.4914 at 587.6 nm.

Safety Information

• Safety Statements: R