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异戊酸龙脑酯 | 76-50-6

异戊酸龙脑酯结构式图片|76-50-6结构式图片
中文名称:异戊酸龙脑酯
英文名称:Bornyl isovalerate
CAS No.:76-50-6 分子式:C15H26O2 分子量:238.36574
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:异戊酸龙脑酯结构式
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异戊酸龙脑酯的其他展现形式
  • 相关化合物
乙酸异龙脑酯 isobornyl acetate CAS No.:125-12-2
乙酸龙脑酯 Bornyl acetate CAS No.:76-49-3
香紫苏内酯 (3ar)-(+)-sclareolide CAS No.:564-20-5
屈他雄酮丙酸酯 Drostanolone propionate CAS No.:521-12-0
胆酸甲酯 Methyl 4-[(5S,8R,9R,10S,13R,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS No.:1448-36-8
丙酸异龙脑酯 Isobornyl propanoate CAS No.:2756-56-1
名称和标识符
InChIKey MPYYVGIJHREDBO-UHFFFAOYSA-N
Inchi 1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
SMILES C(OC1CC2C(C)(C)C1(C)CC2)(=O)CC(C)C
别名信息
- 中文别名 -
异戊酸龙脑酯 (1S,4R,6R)-1,7,7-三甲基二环[2.2.1]庚-2-基 3-甲基丁酸酯 内型-3-甲基丁酸-1,7,7-三甲基二环[2.2.1]庚-2-基酯
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- 英文别名 -
Bornyl isovalerate 2-Bornyl 3-methylbutyrate Isovaleric acid 2-bornyl ester [(1S,4R,6R)-1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate BORNEOL ISOVALERATE BORNYL ISOPENTANOATE Bornyl-isovalerat Bornyval endo-bornyl isovalerate endo-Bornylisovalerat Hysterol 7779-73-9 Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- DTXSID80873577 Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- Borneol-iso-Valerate = Bornyl iso-Valerate UNII-X58D56297G (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylbutanoate Bornyl 3-methylbutanoate BORNYL ISOVALERATE Isovaleric acid, 2-bornyl ester Iso-valerianate de bornyle [French] NSC 68007 endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- 2-Bornyl isovalerate Isobornyl isopentanoate SCHEMBL309489 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate, exo Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel- W-104361 Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel- Isobornyl 3-methylbutanoate 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate # endo-Bornyl isovalerate EINECS 231-935-4 endo-bornylisovalerat AI3-04348 FT-0623173 MPYYVGIJHREDBO-UHFFFAOYSA-N 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate endo-3-Methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester Isobornyl isovalerianate Bornyl isopentanoate Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo- A839197 Isobornyl isovalerate 76-50-6 exo - bornyl isovalerate EINECS 200-966-5 Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- endo - bornyl isovalerate Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo- 3-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester 276885-74-6 Butanoic acid, 3-methyl-, 4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo- (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylbutanoate (-)-Bornyl isovalerate, >=97% Bornyl isovalerianate
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物化性质
 实验特性
LogP 3.79050
PSA 26.30000
折射率 1.46
沸点 255-260 ºC
闪点 >110 ºC
FEMA 2165 | BORNYL ISOVALERATE (ENDO-)
颜色与性状 无色淡黄色 液体
比旋光度 -32.5 º (neat)
密度 0.949
 计算特性
精确分子量 238.19300
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 4
同位素质量 238.193
重原子数量 17
复杂度 319
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 0
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) 4.6
拓扑分子极性表面积 26.3A^2
安全信息 纠错
国际标准相关数据
EINECS 200-966-5
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化合物详情(旧版)

SMILES

CC(C)CC(=O)O[C@H]1[C@]2(C)C(C)(C)C(CC2)C1

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