11068-03-4 ((9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester, hydroperoxide)

CAS号:
11068-03-4
英文名称:
9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester, hydroperoxide
分子式:
C19H34O2
分子量:
294.472066402435

9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester, hydroperoxide(11068-03-4)名称与标识符

名称

英文别名:
9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester, hydroperoxide;hydrogen <wbr>;LogP;methyl linoleate hydroperoxide;Methyl trans,trans-9,12-octadecadienoate;TRANS,TRANS-METHYL LINOLEATE;CHEBI:143581;9,2-Octadecadienoic acid, methyl ester, (E,E)-;(-)-trans-1,2-CyclohexanedicarboxylicAnhydride;Methyl (9E,12E)-octadeca-9,12-dienoate;NS00076545;SCHEMBL813266;JRB7ACQ5NW;11068-03-4;UNII-JRB7ACQ5NW;2462-85-3;9,12-Octadecadienoic acid, methyl ester, (E,E)-;Linolelaidic acid, methyl ester;(9E,12E)-Methyloctadeca-9,12-dienoate;(9E,12E)-Methyl octadeca-9,12-dienoate;methyl (9E,12Z)-octadeca-9,12-dienoate;9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide;Methyl (9E,12E)-9,12-octadecadienoate;T72179;Methyl linolelaidate, analytical standard;Methyl linolelaidate, >=99% (GC), liquid;Methyl (9E,12E)-9,12-octadecadienoate #;9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE;Linolelaidic acid methyl ester;Linolelaidic acid-methyl ester;CS-0046123;Methyl trans, trans-9,12-octadienoate;trans-9,12-Octadecadienoic acid methyl ester 10 mg/mL in heptane;WTTJVINHCBCLGX-ZDVGBALWSA-N;9,12-Octadecadienoicacid, methyl ester;9,12-Octadecadienoic acid, methyl ester;AKOS015902997;(9E,12E)-9,12-Octadecadienoic acid methyl ester;11J6A3P924;trans,trans-9,12-Octadecadienoic Acid Methyl Ester;CAA56697;Methyl 9-trans-12-trans-octadecadienoate;trans,trans-octadeca-9,12-dienoic acid methyl ester;2566-97-4;M2307;EINECS 219-560-4;METHYL OCTADECA-TRANS-9-TRANS-12-DIENOATE;SCHEMBL17191668;UNII-11J6A3P924;AI3-36451;Methyl octadeca-9,12-dienoate;Q27281652;METHYL-9,12-OCTADECADIENOATE;HY-W053516;QSPL 074;TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER;Methyl linolelaidate;SCHEMBL813264;J-016098;A902172;trans-9,12-Octadecadienoic acid, methyl ester;Linoelaidic acid methyl ester;MFCD00069997;EINECS 219-901-7;DTXSID90880893;9,12-Octadecadienoic acid, methyl ester, (9E,12E)-;METHYL (9E,12E)-OCTADECADIENOATE;Methyl (E, E)-9,12-octadecadienoate;68605-14-1;

标识符

InChIKey:
WTTJVINHCBCLGX-ZDVGBALWSA-N
Inchi:
1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
SMILES:
O(C)C(CCCCCCC/C=C/C/C=C/CCCCC)=O

9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester, hydroperoxide(11068-03-4)物化性质

实验特性

  • PSA : 66.76

计算特性

  • 精确分子量 : 328.26148
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 15
  • 同位素质量 : 294.255880323g/mol
  • 重原子数量 : 21
  • 复杂度 : 279
  • 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 : 0
  • 确定化学键立构中心数量 : 2
  • 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) : 6.9
  • 拓扑分子极性表面积 : 26.3Ų

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