p-Allylcalix[4]arene

Base Information

• Chemical Name: p-Allylcalix[4]arene
• CAS No.: 81294-23-7
• Molecular Formula: C₄₀H₄₀O₄
• Molecular Weight: 584.755
• European Community (EC) Number: 617-213-5
• DSSTox Substance ID: DTXSID401315088
• Nikkaji Number: J1.082.519I

Synonyms:81294-23-7;p-Allylcalix[4]arene;SCHEMBL1471513;DTXSID401315088;15,35,55,75-Tetraallyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetraol

Chemical Property of p-Allylcalix[4]arene

Chemical Property:

• XLogP3: 10.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 584.29265975
• Heavy Atom Count: 44
• Complexity: 761

Purity/Quality:

Safty Information:

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• Canonical SMILES: C=CCC1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)CC=C)C2)O)CC=C)CC=C)O

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