17627-43-9 (5-氧三环[8.2.0.04,6]十二烷，4,12,12-三甲基-9-亚甲基-,5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-)

快速询单

结构式：

5-氧三环[8.2.0.04,6]十二烷，4,12,12-三甲基-9-亚甲基-MOL文件

CAS号：

17627-43-9

中文名称：

5-氧三环[8.2.0.04,6]十二烷，4,12,12-三甲基-9-亚甲基-

英文名称：

5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-

分子式：

C₁₅H₂₄O

分子量：

220.350464820862

植物源：

白头菀斑桃木桂合萼桃木睑子菊睫萼木柯柏胶树林风轮林荫鼠尾草鳞果草丝叶东丘芹夏香草腺果层菀小花荠苎新风轮白头菀斑桃木

5-氧三环[8.2.0.04,6]十二烷，4,12,12-三甲基-9-亚甲基-(17627-43-9)名称与标识符

名称

英文别名：

5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-;4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane;4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane;5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-;Einecs 241-609-3;.beta.-Caryophyllene epoxide;(10S,1R,4R,6R)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0<4,6>]dodeca ne;NS00101167;SY011401;13877-94-6;Caryophyllene a-oxide;4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0~4,6~]dodecane;AKOS024282622;4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane;Caryophyllene epoxide;5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-;5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-;SCHEMBL1532444;NVEQFIOZRFFVFW-UHFFFAOYSA-N;17627-43-9;4,12,12-TRIMETHYL-9-METHYLIDENE-5-OXATRICYCLO[8.2.0.0?,?]DODECANE;Caryophyllene oxyde;Caryophylene oxide;EINECS 237-642-8;VS-12369;FT-0623501;4,5-epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane;4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-;Isocaryophyllene, oxide;(-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-;DTXSID50859585;CHEBI:156179;4,5-Epoxy-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undecane;NS00012081;Q67879768;(-)-.beta.-Caryophyllene oxide;Caryophyllene alpha-oxide;4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane;

标识符

InChIKey：

NVEQFIOZRFFVFW-UHFFFAOYSA-N

Inchi：

1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3

SMILES：

O1C2CCC(=C)C3CC(C)(C)C3CCC12C

5-氧三环[8.2.0.04,6]十二烷，4,12,12-三甲基-9-亚甲基-(17627-43-9)物化性质

实验特性

PSA : 12.53
沸点 : 279.7°Cat760mmHg
闪点 : 119.7°C
密度 : 0.98

计算特性

精确分子量 : 220.18282
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 220.182715
重原子数量 : 16
复杂度 : 330
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 : 4
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） : 3.6
拓扑分子极性表面积 : 12.5

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