141-15-1 (3,7-二甲基辛-7-烯丁酸酯,Butanoic acid,3,7-dimethyl-7-octen-1-yl ester)

快速询单

结构式：

3,7-二甲基辛-7-烯丁酸酯MOL文件

CAS号：

141-15-1

中文名称：

3,7-二甲基辛-7-烯丁酸酯

英文名称：

Butanoic acid,3,7-dimethyl-7-octen-1-yl ester

分子式：

C₁₄H₂₆O₂

分子量：

226.355044841766

3,7-二甲基辛-7-烯丁酸酯(141-15-1)名称与标识符

名称

中文别名：

3,7-二甲基辛-7-烯丁酸酯;

英文别名：

Butanoic acid,3,7-dimethyl-7-octen-1-yl ester;3,7-dimethyloct-7-enyl butanoate;RHODINYL BUTYRATE;3,7-Dimethyl-7-octen-1-yl butanoate;3,7-Dimethyl-7-octen-1-yl butyrate;3,7-dimethyloct-7-en-1-yl butanoate;Butanoic acid, 3,7-dimethyl-7-octenyl ester;Butyric acid, 3,7-dimethyl-7-octenyl ester;Rhodinylbutyrat;3,7-Dimethyl-7-octen-1-ol butanoate;butyric acid 3,7-dimethyloct-7-enyl ester;butanoicacid,3,7-dimethyl-7-octenylester;6JNM5LMT58;141-15-1;Rhodinyl butyrate, (+/-)-;SCHEMBL3504718;FEMA 2982;CHEBI:171869;UNII-6JNM5LMT58;Q27265011;7-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE;NS00013174;DTXSID60861811;(+/-)-rhodinyl butyrate;2,6-DIMETHYL-1-OCTEN-8-YL BUTYRATE;LMFA07011011;Butanoic acid, 3,7-dimethyl-7-octen-1-yl ester;

标识符

InChIKey：

PYGYQOOIXMJQOJ-UHFFFAOYSA-N

Inchi：

1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3

SMILES：

O(C(CCC)=O)CCC(C)CCCC(=C)C

3,7-二甲基辛-7-烯丁酸酯(141-15-1)物化性质

实验特性

PSA : 26.3
折射率 : 1.44
沸点 : 292.6°Cat760mmHg
闪点 : 91.5°C
FEMA : 2982 | RHODINYL BUTYRATE
密度 : 0.876

计算特性

精确分子量 : 226.19338
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 10
同位素质量 : 226.193
重原子数量 : 16
复杂度 : 209
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 : 1
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） : 4.9
拓扑分子极性表面积 : 26.3A^2

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