基本情報
- CAS
70969-65-2- 標準SMILES
CC(C)CCCCCOCC(COCC(C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C- InChIKey
JUBIFMWZLINJMF-UHFFFAOYSA-N- 分子式
- C50H94O10
- 平均分子量
- 855.3 g/mol
- 単同位体質量
- 854.68469919
名称と識別子
- 優先名称
- Isooctanoic acid, 1,1'-[2-[[3-[(1-oxoisooctyl)oxy]-2,2-bis[[(1-oxoisooctyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] ester
- IUPAC
- [2-[[2,2-bis(6-methylheptanoyloxymethyl)-3-(6-methylheptoxy)propoxy]methyl]-2-methyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate
名称と別名
Dipentaerythritol hexaisooctanoateDipentaerythritol, hexaisooctanoate70969-65-2Isooctanoic acid, 1,1'-(2-((3-((1-oxoisooctyl)oxy)-2,2-bis(((1-oxoisooctyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) esterIsooctanoic acid, 2-((3-((1-oxoisooctyl)oxy)-2,2-bis(((1-oxoisooctyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl esterIsooctanoic acid, 1,1'-[2-[[3-[(1-oxoisooctyl)oxy]-2,2-bis[[(1-oxoisooctyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] esterRefChem:149652DTXSID10991273JUBIFMWZLINJMF-UHFFFAOYSA-N2-{[(6-Methylheptyl)oxy]methyl}-2-[(2-methyl-3-[(6-methylheptanoyl)oxy]-2-{[(6-methylheptanoyl)oxy]methyl}propoxy)methyl]propane-1,3-diyl bis(6-methylheptanoate)
データベース識別子
- CAS
70969-65-2- PubChem CID
- 3085442
- DTXSID
DTXSID10991273
物性
構造計算による物性
- XLogP
- 14.2
- 極性表面積
- 124 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 44
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 1,030
化学と産業
用途と製造
General Manufacturing InformationIsooctanoic acid, 1,1'-[2-[[3-[(1-oxoisooctyl)oxy]-2,2-bis[[(1-oxoisooctyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] ester: INACTIVE
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…