Methyl 2,2-dimethyl-3-((4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)oxy)propanoate
基本情報
- 標準SMILES
COC(=O)C(C)(C)COc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
ZFSFDKUYNDREMA-UHFFFAOYSA-N- 分子式
- C18H28BNO5
- 平均分子量
- 349.2 g/mol
- 単同位体質量
- 349.2060532
名称と識別子
- 優先名称
- Methyl 2,2-dimethyl-3-((4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)oxy)propanoate
- IUPAC
- methyl 2,2-dimethyl-3-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate
名称と別名
1383000-29-0methyl 2,2-dimethyl-3-((4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)oxy)propanoatemethyl 2,2-dimethyl-3-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxypropanoateSCHEMBL9940264ZFSFDKUYNDREMA-UHFFFAOYSA-NDB-109249methyl 2,2-dimethyl-3-{[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridin-2-yl]oxy}propanoatemethyl 2,2-dimethyl-3-{[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propanoate
データベース識別子
- PubChem CID
- 67975267
物性
構造計算による物性
- 極性表面積
- 66.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 478
関連反応
5 件
化合物ノート
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