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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2-tert-butyl-4,6-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phenol , 2-tert-butyl-4,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol , 2-tert-butyl-4,6-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phenol , 2-tert-butyl-4,6-bis(3,5-ditert-butyl-4-hydroxy-benzyl)phenol
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| Smiles: |
Oc1c(cc(cc1C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
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| InChi : |
InChI=1S/C40H58O3/c1-36(2,3)28-19-24(16-25-20-29(37(4,5)6)34(42)30(21-25)38(7,8)9)17-27(33(28)41)18-26-22-31(39(10,11)12)35(43)32(23-26)40(13,14)15/h17,19-23,41-43H,16,18H2,1-15H3
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| InChi Key : |
InChIKey=ZPKNRTASNRLDMM-UHFFFAOYSA-N
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| PubChem ID : |
545456
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
8.408078
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
2.346
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| XLogP : |
10.14
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VDW volume : |
633.269019
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| Molecular weight : |
586.438596
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HOMO-LUMO gap : |
8.726000
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| Herb list : |
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| Refrences & Litretures: |
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