956325-23-8 (2-Methyl-2-propanyl [(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamat e,2-methyl-2-propanyl [(1s,2s)-2-(hydroxymethyl)cyclohexyl]carbamat E)

CAS号:
956325-23-8
中文名称:
2-Methyl-2-propanyl [(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamat e
英文名称:
2-methyl-2-propanyl [(1s,2s)-2-(hydroxymethyl)cyclohexyl]carbamat E
分子式:
C12H23NO3
分子量:
229.315923929214

2-Methyl-2-propanyl [(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamat e(956325-23-8)名称与标识符

名称

中文别名:
2-Methyl-2-propanyl [(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamat e;
英文别名:
2-methyl-2-propanyl [(1s,2s)-2-(hydroxymethyl)cyclohexyl]carbamat E;(S)-tert-Butyl (3-oxocyclopentyl)carbamate;(S)-(3-Oxocyclopentyl)carbamic acid 1,1-dimethylethyl ester;AM20090003;tert-butyl [(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamate;tert-butyl N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamate;SureCN8320677;tert-butyl (1S,2S)-2-(hydroxymethyl)cyclohexylcarbamate;PB22919;(S)-tert-butyl 3-oxocyclopentylcarbamate;tert-butyl[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamate;(S)-3-(BOC-AMINO)CYCLOPENTANONE;KB-211962;AK-75980;tert-butyl [(1S)-3-oxocyclopentyl]carbamate;956324-28-0;XUFBETUUQRMWRY-ZJUUUORDSA-N;3U9GRC15GB;SCHEMBL649961;EN300-7201900;Carbamic acid, N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester;tert-Butyl ((1S,2S)-2-(hydroxymethyl)cyclohexyl)carbamate;956325-23-8;Carbamic acid, N-((1S,2S)-2-(hydroxymethyl)cyclohexyl)-, 1,1-dimethylethyl ester;UNII-3U9GRC15GB;tert-Butyl-N-((1S,2S)-2-(hydroxymethyl)cyclohexyl)carbamate;

标识符

InChIKey:
XUFBETUUQRMWRY-ZJUUUORDSA-N
Inchi:
1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1
SMILES:
OC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C

2-Methyl-2-propanyl [(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamat e(956325-23-8)物化性质

计算特性

  • 精确分子量 : 229.16779360Da
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 229.16779360Da
  • 重原子数量 : 16
  • 复杂度 : 235
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.5
  • 拓扑分子极性表面积 : 58.6Ų

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