17699-05-7 (双环[3.1.1]庚-2-烯，2,6-二甲基-6-（4-甲基-3-戊烯-1-基）-,Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-)

快速询单

结构式：

双环[3.1.1]庚-2-烯，2,6-二甲基-6-（4-甲基-3-戊烯-1-基）-MOL文件

CAS号：

17699-05-7

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）-

英文名称：

Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-

分子式：

C₁₅H₂₄

分子量：

204.351064682007

植物源：

岛盘桂苦笛香鳞果草马拉维南非柏小花荠苎岛盘桂

双环[3.1.1]庚-2-烯，2,6-二甲基-6-（4-甲基-3-戊烯-1-基）-(17699-05-7)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)-;2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene;ALPHA-TRANS-BERGAMOTENE;alpha-bergamotene;Bergamotene;Bicyclo(3.1.1)hept-2-ene,2,6-dimethyl-6-(4-methyl-3-pentenyl);Einecs 241-702-9;trans-2,6-Dimethyl-6-(4-methylpent-3-enyl)-bicyclo[3.1.1]hept-2-ene;NISTC17699057;α-Bergamotene;Bicyclo(3.1.1)hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-;DTXSID90864411;2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene;.alpha.-Bergamotene;2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene;.alpha.-trans-Bergamotene;2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl);NS00052721;2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo(3.1.1)hept-2-ene;17699-05-7;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)-;CHEBI:62755;Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-;FT-0622209;C17088;2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene #;Q27132146;ALPHA-BERGAM0TENE;

标识符

InChIKey：

YMBFCQPIMVLNIU-UHFFFAOYSA-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

SMILES：

C1(C)(CC/C=C(\C)/C)C2C(C)=CCC1C2

双环[3.1.1]庚-2-烯，2,6-二甲基-6-（4-甲基-3-戊烯-1-基）-(17699-05-7)物化性质

实验特性

LogP : 4.72520
PSA : 0.00000
折射率 : 1.49
沸点 : 259.5°Cat760mmHg
闪点 : 100.6°C
密度 : 0.881

计算特性

精确分子量 : 204.18800
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 : 204.188
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 : 0
不确定原子立构中心数量 : 3
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 : 0A^2

双环[3.1.1]庚-2-烯，2,6-二甲基-6-（4-甲基-3-戊烯-1-基）-(17699-05-7)合成路线

合成路线：1 步

反应条件：

1.1 Solvents: Water ; 60 h, 25 °C

参考文献：

Bio-inspired surfactants capable of generating plant volatiles

Bhadani, Avinash; Rane, Jayant; Veresmortean, Cristina; Banerjee, Sanjoy; John, George, Soft Matter, 2015, 11(15), 3076-3082

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