81893-42-7 (檀香醇,Santalol)

檀香醇(81893-42-7)名称与标识符

名称

英文别名:
SANTALOL;2-Penten-1-ol, 2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-, (2Z)-;2-Methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol;OJYKYCDSGQGTRJ-UHFFFAOYSA-N;2-methyl-5-(2-methyl-3-methylene-bicyclo[2.2.1]hept-2-yl)-pent-2-en-1-ol;[1S-[1a,2a(Z),4a]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol;(E)-2-methyl-5-[(1S,2S,4R)-2-methyl-3-methylidene-2-bic;

标识符

InChIKey:
OJYKYCDSGQGTRJ-UHFFFAOYSA-N
Inchi:
1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3
SMILES:
O([H])C([H])([H])C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C(=C([H])[H])C2([H])C([H])([H])C([H])([H])C1([H])C2([H])[H]

檀香醇(81893-42-7)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 4
  • 重原子数量 : 16
  • 复杂度 : 315
  • 拓扑分子极性表面积 : 20.2