基本情報
- CAS
55582-33-7- 標準SMILES
CC(C)(C)c1cc(Cc2cc(C(C)(C)c3cc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c(O)c(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c3)cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2O)cc(C(C)(C)C)c1O- InChIKey
MIVMLNZOXCJJCH-UHFFFAOYSA-N- 分子式
- C75H104O6
- 平均分子量
- 1,101.6 g/mol
- 単同位体質量
- 1,100.78329105
名称と識別子
- 優先名称
- 4,4'-(1-Methylethylidene)bis[2,6-bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phenol
- IUPAC
- 4-[[5-[2-[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-hydroxyphenyl]propan-2-yl]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2,6-ditert-butylphenol
名称と別名
55582-33-7DTXSID301118643STK745115AKOS0055269204,4',4'',4'''-((propane-2,2-diylbis(2-hydroxybenzene-5,3,1-triyl))tetrakis(methylene))tetrakis(2,6-di-tert-butylphenol)4,4',4'',4'''-{Propane-2,2-diylbis[(2-hydroxybenzene-5,1,3-triyl)bis(methylene)]}tetrakis(2,6-di-tert-butylphenol)4,4',4'',4'''-{propane-2,2-diylbis[(2-hydroxybenzene-5,1,3-triyl)dimethanediyl]}tetrakis(2,6-di-tert-butylphenol)4,4'-(1-Methylethylidene)bis[2,6-bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phenol4,4a(2)-(1-Methylethylidene)bis[2,6-bis[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phenol
データベース識別子
- CAS
55582-33-7- PubChem CID
- 4449939
- DTXSID
DTXSID301118643
物性
構造計算による物性
- XLogP
- 23.6
- 極性表面積
- 121 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 6
- 回転可能結合数
- 18
- 重原子数
- 81
- 形式電荷
- 0
- 複雑度
- 1,610
関連反応
0 件
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