13877-93-5 (双环[7.2.0]十一碳-4-烯,4,11,11-三甲基-8-亚甲基-,Bicyclo[7.2.0]undec-4-ene,4,11,11-trimethyl-8-methylene-)

CAS号:
13877-93-5
中文名称:
双环[7.2.0]十一碳-4-烯,4,11,11-三甲基-8-亚甲基-
英文名称:
Bicyclo[7.2.0]undec-4-ene,4,11,11-trimethyl-8-methylene-
分子式:
C15H24
分子量:
204.351064682007

双环[7.2.0]十一碳-4-烯,4,11,11-三甲基-8-亚甲基-(13877-93-5)名称与标识符

名称

英文别名:
Bicyclo[7.2.0]undec-4-ene,4,11,11-trimethyl-8-methylene-;(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene;caryophyllene;4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene;Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-;.gamma.-Caryophyllene;Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-;13877-93-5;AKOS005378035;NSC11906;54061-81-3;4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene;87-44-5;(Z)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene;CIS-4,11,11-TRIMETHYL-8-METHYLENE-BICYCLO(7.2.0)UNDECA-4-ENE;Cis-.beta.-caryophyllene;(5Z)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-ene;4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene #;(z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene, AldrichCPR;.beta.-cis-Caryophyllene;4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene;NPNUFJAVOOONJE-WDZFZDKYSA-N;Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-;VS-00870;Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-;B-Caryophyllene Fcc;

标识符

InChIKey:
NPNUFJAVOOONJE-WDZFZDKYSA-N
Inchi:
1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-
SMILES:
C1(C)(C)CC2C(=C)CCC=C(C)CCC12 |t:9|

双环[7.2.0]十一碳-4-烯,4,11,11-三甲基-8-亚甲基-(13877-93-5)物化性质

计算特性

  • 精确分子量 : 204.187800766g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 204.187800766g/mol
  • 重原子数量 : 15
  • 复杂度 : 293
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 1
  • 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) : 4.4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0Ų