oxiran-2-ylmethyl 5-(2,6-dichlorophenyl)-2,2-dimethylhexanoate

• ChemBase ID: 142333
• Molecular Formular: C17H22Cl2O3
• Molecular Mass: 345.26078
• Monoisotopic Mass: 344.09459992
• SMILES: CC(CCC(C)(C)C(=O)OCC1CO1)c1c(cccc1Cl)Cl
• Canonical SMILES: CC(c1c(Cl)cccc1Cl)CCC(C(=O)OCC1OC1)(C)C
• InChI: InChI=1S/C17H22Cl2O3/c1-11(15-13(18)5-4-6-14(15)19)7-8-17(2,3)16(20)22-10-12-9-21-12/h4-6,11-12H,7-10H2,1-3H3
• InChIKey: VALBCASDXQVOLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxiran-2-ylmethyl 5-(2,6-dichlorophenyl)-2,2-dimethylhexanoate
• IUPAC Traditional name: oxiran-2-ylmethyl 5-(2,6-dichlorophenyl)-2,2-dimethylhexanoate
• Synonyms: Poly(2,6-dichlorostyrene-co-glycidyl methacrylate); 聚(2,6-二氯苯乙烯-co-甲基丙烯酸缩水甘油酯)

Database IDs

• PubChem SID: 24883081; 162236563
• PubChem CID: 16217776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.52597
• LogD (pH = 7.4): 5.52597
• Log P: 5.52597
• Molar Refractivity: 87.9161 cm^3
• Polarizability: 35.009308 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 212 nm

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Compostion: Glycidyl methacrylate, 10 mol %
• Linear Formula: (C8H6Cl2)m(C7H10O3)n

DETAILS

Sigma Aldrich - 640174

Packaging
500 mg in glass bottle