HCID4072499

Benzyl 4-methyl-2-oxopentanoate

C13H16O3220.26 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)CC(=O)C(=O)OCc1ccccc1
InChIKey: SOVNRTNKFRLUDW-UHFFFAOYSA-N
分子式: C13H16O3
平均分子量: 220.26 g/mol
单同位素质量: 220.10994437

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 6
重原子: 16
形式电荷: 0
复杂度: 240

ALIASES

名称与别名

共 9 条

Benzyl 4-methyl-2-oxo-pentanoate96136-13-9benzyl 4-methyl-2-oxopentanoateBENZYL-2-KETO-ISOHEXANOATESCHEMBL6654150SOVNRTNKFRLUDW-UHFFFAOYSA-NMFCD00190935AKOS0252127354-Methyl-2-oxo-pentanoic acid, benzyl ester

REACTIONS

相关反应

10 条

uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05594106

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05268374

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04599361

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04599361

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1988_05 · 10.6084/m9.figshare.5104873.v1 · US04743587

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