基本情報
- 標準SMILES
CCOC(=O)c1ccc(/C=C/c2ccc3c(c2)C(=O)CCC3(C)C)cc1- InChIKey
PADLSOOHRSUZBH-AATRIKPKSA-N- 分子式
- C23H24O3
- 平均分子量
- 348.4 g/mol
名称と識別子
- 優先名称
- Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethenyl]-benzoate
- IUPAC
- ethyl 4-[(E)-2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
名称と別名
PADLSOOHRSUZBH-AATRIKPKSA-Nethyl (E)-4-[2- (5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2- naphthalenyl)ethenyl)-benzoateEthyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethenyl]-benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-naphthalen-8 (7H)-one-2-yl)ethenyl]-benzoateethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-naphthalen-8(7H)-one-2-yl) ethenyl]-benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-naphthalen-8(7H)-one-2-yl)ethenyl]-benzoateethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-naphthalen-8(7H)-one-2-yl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-naphthalen-8(7H)one-2-yl)ethenyl]-benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dirnethyl-naphthalen-8(7H)-one-2-yl)ethenyl]-benzoateEthyl (E)4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl]ethenyl]-benzoateethyl(E)-4-[2-(5,6-dihydro-5,5-dimethyl-naphthalen-8(7H)-one-2-yl)ethenyl]benzoate
データベース識別子
- PubChem CID
- 12069038
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 43.4 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
- 5
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 540
関連反応
54 件
化合物ノート
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