74410-98-3 ((4alphaS,5S)-5,6,7,8-四氢-3-羟基-4alpha,5-二甲基萘-2(4aH)-酮,(4alphaS,5S)-5,6,7,8-tetrahydro-3-hydroxy-4alpha,5-dimethylnaphthalen-2(4aH)-one)

CAS号:
74410-98-3
中文名称:
(4alphaS,5S)-5,6,7,8-四氢-3-羟基-4alpha,5-二甲基萘-2(4aH)-酮
英文名称:
(4alphaS,5S)-5,6,7,8-tetrahydro-3-hydroxy-4alpha,5-dimethylnaphthalen-2(4aH)-one
分子式:
C12H16O
分子量:
176.254843711853

(4alphaS,5S)-5,6,7,8-四氢-3-羟基-4alpha,5-二甲基萘-2(4aH)-酮(74410-98-3)名称与标识符

名称

英文别名:
(4alphaS,5S)-5,6,7,8-tetrahydro-3-hydroxy-4alpha,5-dimethylnaphthalen-2(4aH)-one;(4aS,5S)-5,6,7,8-tetrahydro-4a,5-dimethylnaphthalen-2(4aH)-one;11,12,13-Trinor-6,9-eremophiladien-8-one;trinorsesquiterpene;

标识符

InChIKey:
GCQBBQFHAVKHMN-UHFFFAOYSA-N
Inchi:
1S/C12H16O/c1-9-4-3-5-10-8-11(13)6-7-12(9,10)2/h6-9H,3-5H2,1-2H3
SMILES:
CC1C2(C(=CC(C=C2)=O)CCC1)C

(4alphaS,5S)-5,6,7,8-四氢-3-羟基-4alpha,5-二甲基萘-2(4aH)-酮(74410-98-3)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 重原子数量 : 13
  • 疏水参数计算参考值(XlogP) : 3.007