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

• ChemBase ID: 111885
• Molecular Formular: C12H18O6
• Molecular Mass: 258.26772
• Monoisotopic Mass: 258.1103383
• SMILES: C=CC(=O)OCCOCCOCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCOCCOCCOC(=O)C=C
• InChI: InChI=1S/C12H18O6/c1-3-11(13)17-9-7-15-5-6-16-8-10-18-12(14)4-2/h3-4H,1-2,5-10H2
• InChIKey: INQDDHNZXOAFFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(prop-2-enoyloxy)ethoxy]ethoxy}ethyl prop-2-enoate
• IUPAC Traditional name: 2-{2-[2-(prop-2-enoyloxy)ethoxy]ethoxy}ethyl prop-2-enoate
• Synonyms: TRIETHYLENEGLYCOL DIACRYLATE

Database IDs

• CAS Number: 1680-21-3
• PubChem SID: 162098105
• PubChem CID: 62414

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5588734
• LogD (pH = 7.4): 1.5588734
• Log P: 1.5588734
• Molar Refractivity: 64.239 cm^3
• Polarizability: 25.354776 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.1 g/ml

DETAILS

MP Biomedicals - 05221549

MP Biomedicals Rare Chemical collection