Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
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基本情報
- 標準SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3=O)cc1- InChIKey
RCXZVAFZECFUGZ-UHFFFAOYSA-N- 分子式
- C23H22O3
- 平均分子量
- 346.4 g/mol
名称と識別子
- 優先名称
- Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
名称と別名
SCHEMBL5737002RCXZVAFZECFUGZ-UHFFFAOYSA-N4(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)-benzoic acid ethyl esterethyl 4- [(5,6,7,8-tetrahydro-8,8-dimethyl -5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8,tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl )ethynyl]benzoateethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-vl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
名称をさらに表示
4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene -2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
データベース識別子
- PubChem CID
- 15345545
物性
構造計算による物性補完中
- XLogP
- 5.1
- 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
- 597
関連反応
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