13474-59-4 (双环[3.1.1]庚-2-烯,2,6-二甲基-6-(4-甲基-3-戊烯-1-基)-,(1S,5S,6R)-,Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-)

CAS号:
13474-59-4
中文名称:
双环[3.1.1]庚-2-烯,2,6-二甲基-6-(4-甲基-3-戊烯-1-基)-,(1S,5S,6R)-
英文名称:
Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
分子式:
C15H24
分子量:
204.351064682007

双环[3.1.1]庚-2-烯,2,6-二甲基-6-(4-甲基-3-戊烯-1-基)-,(1S,5S,6R)-(13474-59-4)名称与标识符

名称

英文别名:
Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-;(1S,5S)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene;(E)-α-bergamotene,(-)-trans-α-bergamotene;(E)-α-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]- hept-2-ene ((E)-α-bergamotene);(E)-α-Bergamotene;2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene;Bergamotene (α-trans);trans--Bergamotene;trans-α-bergamottene;α-E-Bergamotene;α-trans-Bergamoptene;α-trans-Bergamotene;trans-α-Bergamotene;(-)-α-trans-Bergamotene;(1S,5S,6R)-2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene;(1S,5S,6R)-6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]heptane;(-)-trans-alpha-bergamotene;bergamotene (Z,.alpha.,cis);(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene;2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-, trans-(-);.ALPHA.BERGAMOTENE, TRANS-;FEMA NO. 4960;.alpha.-trans-Bergamotene;(E)-(-)-alpha-bergamotene;(-)-TRANS-.ALPHA.-BERGAMOTENE;.ALPHA.-BERGAMOTENE, (-)-TRANS-;(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene;Q27132147;UNII-599TK2712C;17829-53-7;trans-.alpha.-Bergamotene;.ALPHA.-BERGAMOTENE, (E)-(-)-;(-)-EXO-.ALPHA.-BERGAMOTENE;(+/-)-trans-alpha-Bergamotene;alpha-Bergamotene, (E)-(-)-;(-)-exo-alpha-bergamotene;BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-, (1S-(1alpha,5alpha,6alpha))-;BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-, (1S-(1.ALPHA.,5.ALPHA.,6.ALPHA.))-;(-)-alphalpha-trans-Bergamotene;C20811;(1S,5S,6R)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene;alphaBERGAMOTENE, TRANS-;(E)-alpha-bergamotene;cis-.alpha.-Bergamotene;.alpha.-trans-.beta.-Bergamotene;exo-alpha-bergamotene;DTXCID301475754;BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTEN-1-YL)-, (1S,5S,6R)-;CHEBI:62756;13474-59-4;DTXSID901017570;alpha-BERGAMOTENE, (-)-TRANS-;trans-alpha-Bergamotene;599TK2712C;

标识符

InChIKey:
YMBFCQPIMVLNIU-SOUVJXGZSA-N
Inchi:
1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
SMILES:
[C@@]1(C)(CC/C=C(\C)/C)[C@@H]2C(C)=CC[C@H]1C2

双环[3.1.1]庚-2-烯,2,6-二甲基-6-(4-甲基-3-戊烯-1-基)-,(1S,5S,6R)-(13474-59-4)物化性质

实验特性

  • PSA : 0
  • 折射率 : 1.489
  • 沸点 : 259.5°Cat760mmHg
  • 闪点 : 100.6°C
  • 密度 : 0.881

计算特性

  • 精确分子量 : 204.18792
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 3
  • 同位素质量 : 204.187800766g/mol
  • 重原子数量 : 15
  • 复杂度 : 304
  • 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) : 4.8
  • 拓扑分子极性表面积 : 0Ų

双环[3.1.1]庚-2-烯,2,6-二甲基-6-(4-甲基-3-戊烯-1-基)-,(1S,5S,6R)-(13474-59-4)推荐厂家 更多厂家(1)

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询单

双环[3.1.1]庚-2-烯,2,6-二甲基-6-(4-甲基-3-戊烯-1-基)-,(1S,5S,6R)-(13474-59-4)相关文献