(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethy5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate

HCID 22571557

基本情報

標準SMILES
CCOC(=O)CC1(O)CCC(C)(C)c2ccc(N=Nc3ccc(C(=O)OCC)cc3)cc21
InChIKey
REGAIVJACOAKSK-UHFFFAOYSA-N
分子式
C25H30N2O5
平均分子量
438.5 g/mol

名称と識別子

優先名称
(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethy5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate
IUPAC
ethyl 4-[[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]diazenyl]benzoate

名称と別名

SCHEMBL6297429SCHEMBL6297432REGAIVJACOAKSK-UHFFFAOYSA-N(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethy5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8 tetrahydronaphth-2-yl)azo]benzoate(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-) ethyl 4-[(5,5-dimethyl-8hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-) ethyl 4[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-)ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate

データベース識別子

PubChem CID
22571557

物性

構造計算による物性

XLogP
5.3
極性表面積
97.6 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
9
重原子数
32

関連反応

26 件

関連ノート

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