2-({6-[2-(prop-2-enoyloxy)ethoxy]hexyl}oxy)ethyl prop-2-enoate

• ChemBase ID: 145155
• Molecular Formular: C16H26O6
• Molecular Mass: 314.37404
• Monoisotopic Mass: 314.17293855
• SMILES: C=CC(=O)OCCOCCCCCCOCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCOCCCCCCOCCOC(=O)C=C
• InChI: InChI=1S/C16H26O6/c1-3-15(17)21-13-11-19-9-7-5-6-8-10-20-12-14-22-16(18)4-2/h3-4H,1-2,5-14H2
• InChIKey: GIMNDOUZTMKUHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({6-[2-(prop-2-enoyloxy)ethoxy]hexyl}oxy)ethyl prop-2-enoate
• IUPAC Traditional name: 2-({6-[2-(prop-2-enoyloxy)ethoxy]hexyl}oxy)ethyl prop-2-enoate
• Synonyms: 1,6-Hexanediol ethoxylate diacrylate; 1,6-己二醇乙氧酸二丙烯酸酯

Database IDs

• PubChem SID: 162239365; 24873101
• PubChem CID: 59793344

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0253332
• LogD (pH = 7.4): 3.0253332
• Log P: 3.0253332
• Molar Refractivity: 82.951 cm^3
• Polarizability: 32.673077 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Activity: 2.0 ethoxy groups/molecule
• Contains: 300 ppm MEHQ as inhibitor
• Mol. Weight: average Mn ~314
• Linear Formula: [H2C=CHCO2(CH2CH2O)nCH2CH2CH2-]2

DETAILS

Sigma Aldrich - 497134

Packaging
250 mL in poly bottle