[4'-(1-{4-[3-(t-butyl-dimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2'-methyl-biphenyl-4-yl]-acetic Acid Methyl Ester
基本情報
- 標準SMILES
CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1- InChIKey
SDTOLIUEJIUXJJ-UHFFFAOYSA-N- 分子式
- C41H60O3Si
- 平均分子量
- 629 g/mol
名称と識別子
- 優先名称
- [4'-(1-{4-[3-(t-butyl-dimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2'-methyl-biphenyl-4-yl]-acetic Acid Methyl Ester
- IUPAC
- methyl 2-[4-[4-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate
名称と別名
SCHEMBL1524963SDTOLIUEJIUXJJ-UHFFFAOYSA-N[4'-(1-{4-[3-(t-butyl-dimethyl-silanyloxy)-4,4-dimethyl-pentyl]-3-methyl-phenyl}-1-ethyl-propyl)-2'-methyl-biphenyl-4-yl]-acetic Acid Methyl Ester
データベース識別子
- PubChem CID
- 57709155
物性
構造計算による物性
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 15
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 901
関連反応
4 件
化合物ノート
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