HCID95449

1,3-Diethyl 2-(1-methylbutyl)propanedioate

diethyl 2-pentan-2-ylpropanedioate

C12H22O4230.3 g/molCAS 117-47-5

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IDENTITY

结构与身份

标准SMILES: CCCC(C)C(C(=O)OCC)C(=O)OCC
InChIKey: RQFSNEWORATSCC-UHFFFAOYSA-N
分子式: C12H22O4
平均分子量: 230.3 g/mol
单同位素质量: 230.15180918

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 9
重原子: 16
形式电荷: 0
复杂度: 207

ALIASES

名称与别名

共 40 条

117-47-5Diethyl (1-methylbutyl)malonateDTXSID2012679101,3-Diethyl 2-(1-methylbutyl)propanedioateRefChem:1052824DTXCID901698544204-193-4Diethyl (2-pentyl)malonateDiethyl 1-MethylbutylmalonateDiethyl 2-(pentan-2-yl)malonatediethyl 2-pentan-2-ylpropanedioate1-Methylbutyl malonic esterPropanedioic acid, 2-(1-methylbutyl)-, 1,3-diethyl ester1-(Methylbutyl)malonic acid diethyl esterMFCD00051558Diethyl sec-amyl malonate1,3-diethyl 2-(pentan-2-yl)propanedioate1-(Methylbutyl)malonic Acid Diethyl Ester; Diethyl (1-Methylbutyl)malonate; NSC 10820; NSC 62700; (1-Methylbutyl)-propanedioic Acid Diethyl EsterEINECS 204-193-4(1-methylbutyl)-malonic acid diethyl ester

REACTIONS