基本情報
- 標準SMILES
CCCOC(=O)C1(O)CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21- InChIKey
ZVIUECQCBDOQCO-BQYQJAHWSA-N- 分子式
- C27H32O5
- 平均分子量
- 436.5 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-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate
- IUPAC
- propyl 7-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate
名称と別名
ZVIUECQCBDOQCO-BQYQJAHWSA-N(+/-) Ethyl (E)-4- [2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethy1-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy) naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)-naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-Tetrahydro-5.5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-)Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate
データベース識別子
- PubChem CID
- 86586453
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 72.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 9
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 676
関連反応
12 件
化合物ノート
読み込み中…