60793-17-1 (((3S,6R)-6-hydroxy-3-methyl-octan-4-one)

CAS号:
60793-17-1
英文名称:
(3S,6R)-6-hydroxy-3-methyl-octan-4-one
分子式:
C9H18O2
分子量:
158.238023281097

(3S,6R)-6-hydroxy-3-methyl-octan-4-one(60793-17-1)名称与标识符

名称

英文别名:
(3S,6R)-6-hydroxy-3-methyl-octan-4-one;4-Octanone, 6-hydroxy-3-methyl-, (3S,6R)-;

标识符

InChIKey:
DDKZDZVEBDNOOU-JGVFFNPUSA-N
Inchi:
1S/C9H18O2/c1-4-7(3)9(11)6-8(10)5-2/h7-8,10H,4-6H2,1-3H3/t7-,8+/m0/s1
SMILES:
CC[C@H](C)C(=O)C[C@H](O)CC

(3S,6R)-6-hydroxy-3-methyl-octan-4-one(60793-17-1)物化性质

实验特性

  • LogP : 1.76260
  • PSA : 37.30000
  • 沸点 : 238.8±13.0 °C(Predicted)
  • 酸度系数(pKa) : 14.40±0.20(Predicted)
  • 密度 : 0.917±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 158.13100

(3S,6R)-6-hydroxy-3-methyl-octan-4-one(60793-17-1)上下游