HCID23374761

isobutyl P-(3-cyanoprop-2-yl)-P-methyl-phosphinate

3-[methyl(2-methylpropoxy)phosphoryl]butanenitrile

C9H18NO2P203.22 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)COP(C)(=O)C(C)CC#N
InChIKey: GYLMYYNYRJUKTL-UHFFFAOYSA-N
分子式: C9H18NO2P
平均分子量: 203.22 g/mol
单同位素质量: 203.10751581

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 50.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 13
形式电荷: 0
复杂度: 241

ALIASES

名称与别名

共 5 条

SCHEMBL8970710GYLMYYNYRJUKTL-UHFFFAOYSA-Nisobutyl P-(3-cyanoprop-2-yl)-P-methyl-phosphinateisobutyl P-(3-cyanoprop-2-yl)-P-(methyl)-phosphinateisobutyl P-(3-cyanoprop-2-yl)-P-(methyl)phosphinate

REACTIONS

参与反应

8 条

uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05567840

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uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05567840

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uspto-grants-1994_01 · 10.6084/m9.figshare.5104873.v1 · US05281747

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uspto-grants-1994_01 · 10.6084/m9.figshare.5104873.v1 · US05281747

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1995_10 · 10.6084/m9.figshare.5104873.v1 · US05461040

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uspto-grants-1995_10 · 10.6084/m9.figshare.5104873.v1 · US05461040

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

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