11044-40-9 ((+)​-α-​Cadinene,alpha-Cadinene)

CAS号:
11044-40-9
中文名称:
(+)​-α-​Cadinene
英文名称:
alpha-Cadinene
分子式:
C15H24
分子量:
204.3511

(+)​-α-​Cadinene(11044-40-9)名称与标识符

名称

英文别名:
alpha-Cadinene;(+)-alpha-cadinene;X650G04I0A;(1S,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene;(-)-alpha-Cadinene;alpha-Cadinene, (+)-;Cadinen;a-Cadinene;(-)-a-Cadinene;Cadina-4,9-diene, (-)-;Cadina-4,9-diene, (-)- (8CI);(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)- 1,2,4a,5,6,8a-hexahydronaphthalene;Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-;Q27149802;(1S,4aR,8aR)-4,7;

标识符

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

(+)​-α-​Cadinene(11044-40-9)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 1
  • 重原子数量 : 15
  • 复杂度 : 293
  • 疏水参数计算参考值(XlogP) : 4.1
  • 拓扑分子极性表面积 : 0

(+)​-α-​Cadinene(11044-40-9)相关文献