1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

Base Information

• Chemical Name: 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
• CAS No.: 191608-68-1
• Molecular Formula: C35H48O4
• NSC Number: 705586
• DSSTox Substance ID: DTXSID101128450
• Nikkaji Number: J1.391.356K
• ChEMBL ID: CHEMBL1994927

Synonyms:NSC705586;SCHEMBL4450572;SCHEMBL4450576;1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione;CHEMBL1994927;DTXSID101128450;NSC-705586;1,7-Bis(4-hydroxy-3,5-di-tert-butylphenyl)-1,6-heptadiene-3,5-dione;(1E,6E)-1,7-bis(3,5-ditert-butyl-4-hydroxy-phenyl)hepta-1,6-diene-3,5-dione;(1E,6E)-1,7-Bis[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1,6-heptadiene-3,5-dione;191608-68-1

Chemical Property of 1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

Chemical Property:

• XLogP3: 9.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 532.35526001
• Heavy Atom Count: 39
• Complexity: 777

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• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
• Isomeric SMILES: CC(C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(C)C

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