基本情報
- CAS
7468-96-4- 標準SMILES
CC1OCC2OC(C)OC(C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)C2O1- InChIKey
VYFXIITZEXVDOU-UHFFFAOYSA-N- 分子式
- C25H36O8
- 平均分子量
- 464.5 g/mol
- 単同位体質量
- 464.2410181
名称と識別子
- 優先名称
- 2-[(2,6-Dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- IUPAC
- 2-[(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
名称と別名
NSC4002917468-96-4DTXSID20322054NSC-400291DS-0126932-[(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4,9-dimethyl-3,5,8,10-tetraoxabicyclo[4.4.0]dec-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)(2,6-dimethyltetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
データベース識別子
- CAS
7468-96-4- PubChem CID
- 343791
- DTXSID
DTXSID20322054
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 757
関連反応
0 件
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