Methyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetate
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基本情報
- 標準SMILES
COC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3O)cc1- InChIKey
PGGLJAGGQGKMAO-UHFFFAOYSA-N- 分子式
- C23H24O3
- 平均分子量
- 348.4 g/mol
名称と識別子
- 優先名称
- Methyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetate
- IUPAC
- methyl 2-[4-[2-(5-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]phenyl]acetate
名称と別名
PGGLJAGGQGKMAO-UHFFFAOYSA-NMethyl [4-( 5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetateMethyl [4-(5-hydroxy-8 8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen -2-ylethynyl)-phenyl]-acetateMethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetatemethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-phenyl]-acetatemethyl[4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl[4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetate
データベース識別子
- PubChem CID
- 86585937
物性
構造計算による物性補完中
- XLogP
- 4.5
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 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
- 558
関連反応
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