1-{2-[4-(5,11-Bis{[tert-butyl(dimethyl)silyl]oxy}-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepin-8-yl)phenoxy]ethyl}piperidine
基本情報
- CAS
554430-45-4- 標準SMILES
CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O[Si](C)(C)C(C)(C)C)ccc21- InChIKey
UVYCJCTZTNKVPV-UHFFFAOYSA-N- 分子式
- C42H59NO5Si2
- 平均分子量
- 714.1 g/mol
- 単同位体質量
- 713.39317705
名称と識別子
- 優先名称
- 1-{2-[4-(5,11-Bis{[tert-butyl(dimethyl)silyl]oxy}-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepin-8-yl)phenoxy]ethyl}piperidine
- IUPAC
- tert-butyl-[[5-[tert-butyl(dimethyl)silyl]oxy-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-15-yl]oxy]-dimethylsilane
名称と別名
554430-45-41-{2-[4-(5,11-Bis{[tert-butyl(dimethyl)silyl]oxy}-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepin-8-yl)phenoxy]ethyl}piperidineSCHEMBL5112693DTXSID30610358UVYCJCTZTNKVPV-UHFFFAOYSA-N1-(2-{4-[2,8-Bis-(tert-butyl-dimethyl-silyloxy) -11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl]-phenoxy}-ethyl)-piperidine1-(2-{4-[2,8-Bis-(tert-butyl-dimethyl-silyloxy)-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl]-phenoxy}-ethyl)-piperidine1-(2-{4-[2,8-Bis-(tert-butyl-dimethyl-silyloxy)-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl]-phenoxy}-ethyl)piperidine1-{2-[4-(5,11-Bis{[tert-butyldi(methyl)silyl]oxy}-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepin-8-yl)phenoxy]ethyl}piperidine
データベース識別子
- CAS
554430-45-4- PubChem CID
- 21051982
- DTXSID
DTXSID30610358
物性
構造計算による物性
- 極性表面積
- 49.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 11
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,150
関連反応
4 件
化合物ノート
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