1-ethenyl-4-[4-(4-ethenylphenoxy)butoxy]benzene

• ChemBase ID: 143513
• Molecular Formular: C20H22O2
• Molecular Mass: 294.38748
• Monoisotopic Mass: 294.16197994
• SMILES: C=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=C
• Canonical SMILES: C=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=C
• InChI: InChI=1S/C20H22O2/c1-3-17-7-11-19(12-8-17)21-15-5-6-16-22-20-13-9-18(4-2)10-14-20/h3-4,7-14H,1-2,5-6,15-16H2
• InChIKey: RAPXVKLHABTPOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-[4-(4-ethenylphenoxy)butoxy]benzene
• IUPAC Traditional name: 1-ethenyl-4-[4-(4-ethenylphenoxy)butoxy]benzene
• Synonyms: JandaJel™ crosslinker; 1,4-Bis(4-vinylphenoxy)butane; JandaJel™交联剂; 1,4-二(4'-乙烯苯氧基)丁烷

Database IDs

• CAS Number: 112309-98-5
• MDL Number: MFCD19443630
• PubChem SID: 162237732
• PubChem CID: 3847415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5103507
• LogD (pH = 7.4): 5.5103507
• Log P: 5.5103507
• Molar Refractivity: 91.956 cm^3
• Polarizability: 35.73658 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 123-128 °C; 130-133 °C(lit.)

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: >90%
• Empirical Formula (Hill Notation): C20H22O2

DETAILS

Sigma Aldrich - 730262

Packaging
1 g in glass bottle
Legal Information
JandaJel is a trademark of Sigma-Aldrich Co. LLC