基本情報
- CAS
65133-66-6- 標準SMILES
C=C(C)C(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C(=C)C)cc2)cc1- InChIKey
NGFFKUHICVFZTR-UHFFFAOYSA-N- 分子式
- C29H36O7
- 平均分子量
- 496.6 g/mol
- 単同位体質量
- 496.24610348
名称と識別子
- 優先名称
- 2-Propenoic acid, 2-methyl-, 2-(4-(1-methyl-1-(4-(2-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethoxy)ethoxy)phenyl)ethyl)phenoxy)ethyl ester
- IUPAC
- 2-[2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
名称と別名
2-Propenoic acid, 2-methyl-, 2-[4-[1-methyl-1-[4-[2-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethoxy]ethoxy]phenyl]ethyl]phenoxy]ethyl ester2-Propenoic acid, 2-methyl-, 2-(4-(1-methyl-1-(4-(2-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethoxy)ethoxy)phenyl)ethyl)phenoxy)ethyl ester2-Propenoic acid, 2-methyl-, 2-(4-(1-methyl-1-(4-(2-(2-((2-methyl-1-oxo-2-propenyl)oxy)ethoxy)ethoxy)phenyl)ethyl)phenoxy)ethyl ester2-Propenoic acid, 2-methyl-, 2-[4-[1-methyl-1-[4-[2-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethoxy]ethoxy]phenyl]ethyl]phenoxy]ethyl esterRefChem:47953865133-66-6DTXSID9070244SCHEMBL19770676NGFFKUHICVFZTR-UHFFFAOYSA-N2-(4-{2-[4-(2-{2-[(2-Methylprop-2-enoyl)oxy]ethoxy}ethoxy)phenyl]propan-2-yl}phenoxy)ethyl 2-methylprop-2-enoate
データベース識別子
- CAS
65133-66-6- PubChem CID
- 103247
- DTXSID
DTXSID9070244- Nikkaji
- J453.312G
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 80.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 17
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 713
化学と産業
用途と製造
General Manufacturing Information2-Propenoic acid, 2-methyl-, 2-[4-[1-methyl-1-[4-[2-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethoxy]ethoxy]phenyl]ethyl]phenoxy]ethyl ester: INACTIVE
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