96827-63-3 (2-(4-Nonylphenoxy)ethanol,2-(4-nonylphenoxy)ethanol)

CAS号:
96827-63-3
中文名称:
2-(4-Nonylphenoxy)ethanol
英文名称:
2-(4-nonylphenoxy)ethanol
分子式:
C17H28O2
分子量:
264.403025627136

2-(4-Nonylphenoxy)ethanol(96827-63-3)名称与标识符

名称

中文别名:
2-(4-Nonylphenoxy)ethanol;
英文别名:
2-(4-nonylphenoxy)ethanol;Nonoxynols;Nonidet P 40 Substitute;4-Nonylphenol Monoethoxylate;CHEMBL1797943;J-001157;Nonoxynol 10;AKOS026749958;NPEO1;4-Nonyl Phenol Monoethoxylate-d4;ETHYLENE GLYCOL P-NONYLPHENYL ETHER;NONOXYNOL;96827-63-3;CHEBI:53774;104-35-8;2-(4-nonylphenoxy)ethan-1-ol;2-(p-Nonylphenoxy)ethanol;SCHEMBL198140;DTXSID4058601;ETHANOL, 2-(P-NONYLPHENOXY)-;4-n-Nonylphenol-mono-ethoxylate;4-n-Nonylphenol-mono-ethoxylate 10 microg/mL in Methanol;Nonoxynol 9 (USP);D06490;26027-38-3;Nonoxinol;4-Nonylphenol-mono-ethoxylate;Delfen (TN);Nonylphenol-1-ethoxylate;(oxyeth-ylene) nonylphenyl ether;4-Nonylphenol branched ethoxylated;Ethanol, 2-(4-nonylphenoxy)-;Nonoxynol 15 (USAN);NS00005486;F85204;4-n-Nonylphenol-mono-ethoxylate 10 microg/mL in Acetone;DA-49747;Nonoxynol 4 (USAN);4-nonylphenol ethoxylate;ZMD36H3ESX;UNII-ZMD36H3ESX;4-Nonyl Phenol Monoethoxylate;Nonoxynol 30 (USAN);

标识符

InChIKey:
KUXGUCNZFCVULO-UHFFFAOYSA-N
Inchi:
1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3
SMILES:
O(CCO)C1C=CC(=CC=1)CCCCCCCCC

2-(4-Nonylphenoxy)ethanol(96827-63-3)物化性质

实验特性

  • LogP : log Kow = 4.48 (estimated physical properties based upon 5 ethoxylates)

计算特性

  • 精确分子量 : 264.208930132Da
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 11
  • 同位素质量 : 264.208930132Da
  • 重原子数量 : 19
  • 复杂度 : 186
  • 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) : 5.5
  • 拓扑分子极性表面积 : 29.5Ų

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