5951-57-5 (2-(3-甲基-2-甲酰基环戊基)丙烯醛,Cyclopentaneacetaldehyde,2-formyl-3-methyl-a-methylene-, (1R,2S,3R)-rel-)

CAS号:
5951-57-5
中文名称:
2-(3-甲基-2-甲酰基环戊基)丙烯醛
英文名称:
Cyclopentaneacetaldehyde,2-formyl-3-methyl-a-methylene-, (1R,2S,3R)-rel-
分子式:
C10H14O2
分子量:
166.216963291168

2-(3-甲基-2-甲酰基环戊基)丙烯醛(5951-57-5)名称与标识符

名称

中文别名:
(1R,2S,5S)-2-甲基-5-(3-氧代-1-丙烯-2-基)环戊烷-1-甲醛;2-(3-甲基-2-甲酰基环戊基)丙烯醛;
英文别名:
Cyclopentaneacetaldehyde,2-formyl-3-methyl-a-methylene-, (1R,2S,3R)-rel-;(1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentane-1-carbaldehyde;Dolichodial [MI];1198-22-7;LMPR0102070037;C09777;Cyclopentaneacetaldehyde, 2-formyl-3-methyl-alpha-methylene-, (1S,2R,3S)-;(1R,2S,5S)-2-(1-formylethenyl)-5-methylcyclopentanecarbaldehyde;SCHEMBL24228257;CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1S,2R,3S)-;DTXSID00331826;CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1S-(1.ALPHA.,2.ALPHA.,3.BETA.))-;(-)-Dolichodial;2-FORMYL-3-METHYL-.ALPHA.-METHYLENECYCLOPENTANEACETALDEHYDE;(+/-)-Dolichodial;2-Formyl-3-methyl-alpha-methylenecyclopentaneacetaldehyde;UNII-1KLH0PK5RS;(1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentanecarbaldehyde;UNII-D08WL9YC5Q;5951-57-5;(1S,2R,3S)-2-FORMYL-3-METHYL-.ALPHA.-METHYLENECYCLOPENTANEACETALDEHYDE;Cyclopentaneacetaldehyde, 2-formyl-3-methyl-alpha-methylene-, (1alpha,2alpha,3beta)-;(1S,2R,3S)-Dolichodial;Cyclopentaneacetaldehyde, 2-formyl-3-methyl-alpha-methylene-, (1R,2S,3R)-rel-;Dolichodial (1S,2R,3S)-form [MI];60478-52-6;D08WL9YC5Q;Iridial;CHEBI:4685;1KLH0PK5RS;Dolichodial, (-)-;(1R,2S,5S)-2-(1-formylvinyl)-5-methylcyclopentanecarbaldehyde;Dolichodial;(cis,Trans)-dolichodial;CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1R,2S,3R)-REL-;CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1.ALPHA.,2.ALPHA.,3.BETA.)-;anisomorphal;

标识符

InChIKey:
BORBLDJNKYHVJP-FXBDTBDDSA-N
Inchi:
1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1
SMILES:
O=C[C@H]1[C@@H](C(=C)C=O)CC[C@@H]1C

2-(3-甲基-2-甲酰基环戊基)丙烯醛(5951-57-5)物化性质

实验特性

  • PSA : 34.14

计算特性

  • 精确分子量 : 166.09942
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 166.099379685g/mol
  • 重原子数量 : 12
  • 复杂度 : 208
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 1.5
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 34.1Ų