2-甲基-5-(2-甲基-3-亚甲基双环[ 2.2.1]庚-2-基)-2-戊烯-1-醇 | 77-42-9
中文名称:
2-甲基-5-(2-甲基-3-亚甲基双环[ 2.2.1]庚-2-基)-2-戊烯-1-醇
英文名称:
2-Penten-1-ol,2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-, (2Z)-
CAS No.:
77-42-9
分子式:
C1 5 H2 4 O
分子量:
220.35046
名称和标识符
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
[H]OC([H])([H])C(=C([H])C([H])([H])C([H])([H])C1(C(=C([H])[H])C2([H])C([H])([H])C1([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])[H]
别名信息
- 中文别名 -
[1S-[1Α,2A(Z),4Α]]-2-甲基5-(2-甲基-3-次甲基二环[2.2.1]庚-2-基)-2-戊烯-1-醇
2-甲基-5-(2-甲基-3-亚甲基双环[ 2.2.1]庚-2-基)-2-戊烯-1-醇
[1S-[1Alpha,2A(Z),4Alpha]]-2-甲基5-(2-甲基-3-次甲基二环[2.2.1]庚-2-基)-2-戊烯-1-醇
- 英文别名 -
2-Penten-1-ol,2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-, (2Z)-
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylene-norbornan-2-yl]pe nt-2-en-1-ol
(Z)-β-Santalol
[1S-[1alpha,2alpha(Z),4alpha]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol
β
(2Z)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol
(Z)-β
-(Z)-Santalol
[1S-[1α,2α(Z),4α]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1
2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, [1S-[1α,2α(Z),4α]]-
Beta-santalol
-Santalol
-Santalol (Z)
2-Penten-1-ol,2-methyl-5-(2-methyl-3-methylene-2-norbornyl)- (7CI,8CI)
2-Penten-1-ol,2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, [1S-[1a,2a(Z),4a]]-
b-Santalol (6CI)
(-)-(Z)-b-Santalol
(-)-b-Santalol
Santalol b
cis-b-Santalol
beta-Santalol
2-Methyl-5-(2-methyl-3-methylene-2-norbornyl)-2-penten-1-ol
beta-Santalenol
(1S-(1alpha,2alpha(Z),4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol
物化性质
实验特性
LogP
3.69760
PSA
20.23000
折射率
nD25 1.5100
沸点
bp17 177-178°
闪点
116.3°C
比旋光度
a5461 -87.1°
密度
d2525 0.9717
计算特性
精确分子量
220.183
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
4
同位素质量
220.183
重原子数量
16
复杂度
315
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
3
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)
4.07
拓扑分子极性表面积
20.2A^2
相关文献
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Surface hydrogen bonds and the elastic properties of a solid adsorbent
Y. Kozirovski,M. Folman Trans. Faraday Soc. 1962 58 2228
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