14575-74-7 ((±)-α-苯胆,(±)-a-Fenchol)

CAS号:
14575-74-7
中文名称:
(±)-α-苯胆
英文名称:
(±)-a-Fenchol
分子式:
C10H18O
分子量:
154.249323368073

(±)-α-苯胆(14575-74-7)名称与标识符

名称

英文别名:
Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-, (1R,2R,4S)-rel-;α-1,3,3-trimethyl bicyclo[2.2.1]heptan-2-ol;(1R,3S,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol;α-fenchylalcohol,endo-1,3,3-trimethyl-norbornan-2-ol,1,3,3-trimethyl-bicyclo[2.2.1]heptan-2-ol;Α-GUAIENE,GUAIA-1(5),11-DIENE,[1S-(1A,4A,7A)]-1,2,3,4,5,6,7,8-OCTAHYDRO-1,4-DIMETHYL-7-(1-METHYLETHENYL)-AZULENE;α-fenchylalcohol,α-fenchylalcoholα-1,3,3-trimethyl-norbornan-2-ol,α-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;NCGC00255994-01;.alpha.-Fenchol;(1R*,2R*,4S*)-1,3,3-Trimethyl-bicyclo[2.2.1]heptan-2-ol;(+)-Fenchol, analytical standard;(+)-fenchyl alcohol;Dl-alpha-Fenchol;Fenchyl alcohol, >=96%;Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-;(1R)-endo-(+)-Fenchyl alcohol;alpha-Fenchol, (+)-;(1R)-endo-(+)-Fenchyl alcohol, 96%;2217-02-9;Fenchyl alcohol, analytical standard;(1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1R, 2R, 4S)-1, 3, 3-trimethylbicyclo[2.2.1]heptan-2-ol;endo-Fenchol;Fenchylalkohol;UNII-OW0KEP592N;SCHEMBL20574452;UNII-32Y92U27DU;CHEMBL3188732;alpha-(+)-Fenchol;Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, endo-;Fenchyl alcohol, >=96%, FG;MFCD00003760;FEMA NO. 2480, .ALPHA.-;(+)-alpha-Fenchol;alpha-Fenchyl alcohol, (+)-;FEMA no. 2480, alpha-;DTXCID4024307;1R_fenchyl_alcohol;.ALPHA.-FENCHYL ALCOHOL, (+)-;(+/-)-.ALPHA.-FENCHOL;D-Fenchol;DL-.ALPHA.-FENCHOL;(+)-.ALPHA.-FENCHOL;(1R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol;Tox21_301348;J-014563;Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-;()-Fenchol;.ALPHA.-FENCHOL, (+)-;OW0KEP592N;(1R-Endo)-fenchol;bmse000495;(+/-)-alpha-Fenchol;CAS-2217-02-9;DTXSID6044307;2-Norbornanol, 1,3,3-trimethyl-, endo-;(+)-Fenchyl alcohol 100 microg/mL in Methanol;14575-74-7;.ALPHA.-(+)-FENCHOL;.alpha.-Fenchyl alcohol;32Y92U27DU;alpha-fenchylalcohol,endo-1,3,3-trimethyl-norbornan-2-ol,1,3,3-trimethyl-bicyclo[2.2.1]heptan-2-ol;(-)-endo-Fenchol;Fenchyl alcohol;2-Fenchanol;(1S,2-endo)-1,3,3-trimethylnorbornan-2-ol;1,3,3-trimethyl-2-norbornanol;alpha-fenchyl alcohol;alpha-fenchol;fenchyl alcohol;(1S,2S,4R)-endo-fenchol;Fenchol;endo-alpha-fenchol;

标识符

InChIKey:
IAIHUHQCLTYTSF-OYNCUSHFSA-N
Inchi:
1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
SMILES:
O[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2

(±)-α-苯胆(14575-74-7)物化性质

计算特性

  • 精确分子量 : 154.135765193g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 154.135765193g/mol
  • 重原子数量 : 11
  • 复杂度 : 185
  • 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) : 2.5
  • 拓扑分子极性表面积 : 20.2Ų

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