基本情報
- 標準SMILES
C=CC(=O)OCCCCOc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C- InChIKey
RAONXMYMBKWDIA-UHFFFAOYSA-N- 分子式
- C38H58O4S2
- 平均分子量
- 643 g/mol
- 単同位体質量
- 642.37765267
名称と識別子
- 優先名称
- 2-Propenoic acid, 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyl ester
- IUPAC
- 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]butyl prop-2-enoate
名称と別名
SCHEMBL14586318RAONXMYMBKWDIA-UHFFFAOYSA-N2-Propenoic acid, 4-[4-[[-1-[[-3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyl ester2-Propenoic acid, 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyl ester2-propenoic acid, 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6bis(1,1-dimethylethyl)phenoxy]butyl ester2-propenoic acid, 4-[4[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]butyl ester
データベース識別子
- PubChem CID
- 11467863
物性
構造計算による物性
- XLogP
- 12.9
- 極性表面積
- 106 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 16
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 869
関連反応
7 件
化合物ノート
読み込み中…