基本情報
- 標準SMILES
N#CC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1- InChIKey
QKSKKRXPQXKKIJ-UHFFFAOYSA-N- 分子式
- C15H17Cl2NO2
- 平均分子量
- 314.2 g/mol
名称と識別子
- 優先名称
- 2-(3-Cyano-3-(3,4-dichlorophenyl)propyl)oxytetrahydropyran
- IUPAC
- 2-(3,4-dichlorophenyl)-4-(oxan-2-yloxy)butanenitrile
名称と別名
2-(3-cyano-3-(3,4-dichlorophenyl)propyl)oxytetrahydropyran2-(3-cyano-3-[3,4-dichlorophenyl]propyl)oxytetrahydropyranSCHEMBL4630703QKSKKRXPQXKKIJ-UHFFFAOYSA-N2-(3,4-dichloro-phenyl)-4-(tetrahydro-pyran-2yloxy)-butyronitrile2-(3,4-dichloro-phenyl)-4-(tetrahydropyran-2-yl-oxy)-butyronitrile2-(3,4-Dichlorophenyl)-4-(tetrahydro-2-pyranyloxy)butanenitrile2-(3,4-dichlorophenyl)-4-(tetrahydropyran-2-yl-oxy)butanenitrile2-(3,4-Dichlorophenyl)-4-(tetrahydropyran-2-yloxy)-butanenitrile2-(3,4-Dichlorophenyl)-4-(tetrahydropyran-2-yloxy)butanenitrile3,4-Dichloro-alpha-(2-tetrahydropyranyloxyethyl)benzeneacetonitrile3,4-dichloro-alpha-(2tetrahydropyranyloxyethyl)benzeneacetonitrile
名称をさらに表示
alpha-(2-Tetrahydropyranyloxyethyl)-3,4-dichlorobenzeneacetonitrile3,4-dichloro-alpha-[(2-tetrahydropyranyloxy)ethyl]benzeneacetonitrilealpha-[2-(Tetrahydropyran-2-yloxy)ethyI]-3,4-dichlorophenylacetonitrile
データベース識別子
- PubChem CID
- 15670807
- Nikkaji
- J2.017.684I
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 42.3 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
- 20
- 形式電荷
- 0
- 複雑度
- 344
関連反応
48 件
化合物ノート
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