198563-32-5 ((3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxahexaheptacontan-1-ol)

CAS号:
198563-32-5
英文名称:
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxahexaheptacontan-1-ol
分子式:
C56H114O21
分子量:
1123.49178171158

3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxahexaheptacontan-1-ol(198563-32-5)名称与标识符

名称

英文别名:
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxa hexaheptacontan-1-ol;3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxahexaheptacontan-1-ol;Lipocol C2;33D0C5D77R;BC 30 TX;BRIJ 58;Cetyl alcohol ethoxylate;CHEMBL2355804;UNII-D6K7I18258;LF9X1PN3XJ;UNII-33D0C5D77R;Ceteth-30;DA-76686;CS-0694626;Emulgen 210;UNII-683I13476K;Emalex 115;Nissan nonion P 220;Nonion P 208;G 3804POE;Cetomacrogol 1000 [INN:BAN];Alfonic 16-8;Polyethylene Glycol Monocetyl Ether n chi 23;4TIK16VW41;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;SCHEMBL1769850;94826GMB5B;Cetomacrogol 1000 BPC;PEG-5 Cetyl ether;683I13476K;Collone AC;Cetomacrogol 1000;Oxyethylenated hexadecyl alcohol;UNII-KF87ZXP48B;3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxahexaheptacontan-1-ol;Berol 28;Cetocire;Ts 20;NTS 40;GY15017H2B;BRIJ 38;Ts 62;5QU14HKY1U;G8K9HXI96S;Polyethylene Glycol Monohexadecyl Ether n?23;Polyoxyethylene Monocetyl Ether n?23;Emalex 110;Ceteth-16;UNII-WP14KA7G07;BC 2;Nikkol BC;Nissan nonion P 210;Polyethylene glycol monocetyl ether n=23;Ethosperse CL20;BC 20 TX;Tox21_112546;MFCD00080892;Ceteth-14;UNII-I835H2IHHX;I835H2IHHX;UNII-GY15017H2B;Polyethylene Glycol Monohexadecyl Ether n≈23;7Z6Q50934N;D6K7I18258;PEG-14 Cetyl ether;IV5HOR6SHT;Ceteth-12;G 3820;Cetomacrogolum 1000;Polyoxyethylene Monocetyl Ether n≈23;Ceteth 1;OTsS 20;BC 7;Nikkol BC 15TX;WP14KA7G07;FP63025;BRIJ W1;PEG-1 Cetyl ether;UNII-7Z6Q50934N;Ts 35;PEG-20 Cetyl ether;QWP6WMW083;UNII-94826GMB5B;POE (20) ISOHEXADECYL ETHER;MK1889A3JS;G 3802;Nonion P 210;NS00095655;Atlas G 3816;Ts A 16;UNII-4TIK16VW41;UNII-9E0067TYQH;OTsS 14;Nikkol BC 20TX;PEG-12 Cetyl ether;Ceteth-45;495CTZ441V;KF87ZXP48B;Cetomacrogolum 1000 [Latin];Ceteth 2;UNII-5KLY4IOG20;G 3802POE;OS 55;Lubrol W;Nikkol BC 40;Brij-58;Ts 14;UNII-MK1889A3JS;NCGC00167551-01;PEG-16 Cetyl ether;PEG-30 Cetyl ether;UNII-XZ19O8Z6FM;UNII-495CTZ441V;PEG-15 Cetyl ether;Ts 30;9004-95-9;Emulgen 2200;UNII-5QU14HKY1U;UNII-QWP6WMW083;PEG-3 Cetyl ether;AKOS030228645;Ceteth-25;UNII-0EV3Z43Y2I;PEG-24 Cetyl ether;UNII-6X446K7Q0Y;5KLY4IOG20;PEG-25 Cetyl ether;G 3816;Emalex 120;UNII-G8K9HXI96S;198563-32-5;UNII-2BB3L0ZO76;Nissan nonion P 213;Ceteth-15;POE (2) cetyl ether;N23GP0Q09W;BC 10;HY-W127624C;Emalex 105;W821XK704Z;Ts 55;DTXSID7046708;Ceteth-24;Nissan nonion P 208;Atlas G 3802;BRIJ 52;PEG 20 cetostearyl ether;Ceteth-20;6X446K7Q0Y;Blaunon CH 340;UNII-W821XK704Z;Romopal O;Nikkol BC 30;DTXCID5026708;Brij(R) 58, average Mn ~1124;Brij? C2 Polyoxyethylene (2) cetyl ether;0EV3Z43Y2I;UNII-4ST6952Q67;UNII-N23GP0Q09W;Ceteth;UNII-LF9X1PN3XJ;Cirrasol ALN-WF;XZ19O8Z6FM;PEG-4 Cetyl ether;CA 16;PEG-45 Cetyl ether;4ST6952Q67;UNII-IV5HOR6SHT;BC 20;OS 30;BC 8SY;Brij58;2BB3L0ZO76;CETOMACROGOL;9E0067TYQH;Ceteth-5;Brij C10;Ts 40;

标识符

MDL:
MFCD00080892
InChIKey:
NLMKTBGFQGKQEV-UHFFFAOYSA-N
Inchi:
1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3
SMILES:
C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCC

3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxahexaheptacontan-1-ol(198563-32-5)物化性质

计算特性

  • 精确分子量 : 1122.78526064Da
  • 氢键供体数量 : 1
  • 氢键受体数量 : 21
  • 可旋转化学键数量 : 74
  • 同位素质量 : 1122.78526064Da
  • 重原子数量 : 77
  • 复杂度 : 999
  • 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 : 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) : 4.5
  • 拓扑分子极性表面积 : 205Ų

3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-Eicosaoxahexaheptacontan-1-ol(198563-32-5)相关文献