13888-01-2 (3-ethyloxolan-2-one,3-Ethyl-dihydro-furan-2-one)

CAS号:
13888-01-2
中文名称:
3-ethyloxolan-2-one
英文名称:
3-Ethyl-dihydro-furan-2-one
分子式:
C6H10O2
分子量:
114.142402172089

3-ethyloxolan-2-one(13888-01-2)名称与标识符

名称

中文别名:
3-ethyloxolan-2-one;
英文别名:
3-ethyloxolan-2-one;3-Ethyl-2-methyl-2-phenylsuccinimide;PM 1807;4-ethyl-3-methyl-3-phenyl-pyrrolidine-2,5-dione;2-Ethyl-3-methyl-3-phenylbernsteinsaeureimid;Fenimid;dihydro-3-ethyl-2(3H)-furanone;Fenimida [INN-Spanish];CI-419;Succinimide, 3-ethyl-2-methyl-2-phenyl-;Fenimidum [INN-Latin];2-Ethyl-3-methyl-3-phenylsuccinimid;(+/-)-2-Ethyl-4-butanolid;FENIMIDE;3-ethyltetrahydrofuran-2-one;Fenimide [USAN:INN:BAN];4-Ethyl-3-methyl-3-phenylsuccinimid;3-Ethyl-2-methyl-2-phenylsuccinimide; PM 1807; 4-ethyl-3-methyl-3-phenyl-pyrrolidine-2,5-dione; 2-Ethyl-3-methyl-3-phenylbernsteinsaeureimid; Fenimid; dihydro-3-ethyl-2(3H)-furanone; Fenimida [INN-Spanish]; CI-419; Succinimide, 3-ethyl-2-methyl-2-phenyl-; Fenimidum [INN-Latin]; 2-Ethyl-3-methyl-3-phenylsuccinimid; (+/-)-2-Ethyl-4-butanolid; FENIMIDE; 3-ethyltetrahydrofuran-2-one; Fenimide [USAN:INN:BAN]; 4-Ethyl-3-methyl-3-phenylsuccini;EN300-253644;13888-01-2;Gama-Hexalactone;3-ethyldihydrofuran-2(3h)-one;SCHEMBL464628;NSC-85346;CS-0242669;2(3H)-Furanone, 3-ethyldihydro-;NSC85346;NCIOpen2_000968;ethylbutyrolactone;CHEMBL35976;

标识符

MDL:
MFCD00068928
InChIKey:
DFEMJYIRAXUQQB-UHFFFAOYSA-N
Inchi:
1S/C6H10O2/c1-2-5-3-4-8-6(5)7/h5H,2-4H2,1H3
SMILES:
O1C(C(CC)CC1)=O

3-ethyloxolan-2-one(13888-01-2)物化性质

实验特性

  • PSA : 26.3

计算特性

  • 精确分子量 : 114.0681
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 114.068079557g/mol
  • 重原子数量 : 8
  • 复杂度 : 98.7
  • 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) : 1.1
  • 拓扑分子极性表面积 : 26.3Ų