CAS 22168-73-6 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl- (HCID 211064)

基本情報

CAS: 22168-73-6
標準SMILES: CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1
InChIKey: HOQSLFZFFMMYMC-UHFFFAOYSA-N
分子式: C24H37NO2
平均分子量: 371.6 g/mol
単同位体質量: 371.28242942

名称と識別子

優先名称: 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl-
IUPAC: 2,5,5-trimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
現地名: 8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-2,5,5-トリメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール
英語名: 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-2,5,5-trimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
分子式: C24H37NO2
分子量: 371.56

名称と別名

22168-73-6BRN 12262445H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl-RefChem:305121SCHEMBL11712333DTXSID80944817HOQSLFZFFMMYMC-UHFFFAOYSA-N2,5,5-Trimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol5,5-Dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-2-methyl-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridine8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-2,5,5-トリメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール2,5,5-トリメチル-8-(3-メチルオクタン-2-イル)-1H,2H,3H,4H,5H-クロメノ[4,3-c]ピリジン-10-オール8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-2,5,5-trimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol

名称をさらに表示

2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-2,5,5-trimethyl-

物性

構造計算による物性

XLogP: 5.5
極性表面積: 32.7 Å²
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: 6
重原子数: 27
形式電荷: 0
複雑度: 540

物理化学的性質

沸点: 491.1 · 491.1±45.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
酸解離定数(Pka): 9.71 · 9.71±0.40(Predicted)

化合物ノート

読み込み中…

8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-2,5,5-トリメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール