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ScientificNameLabel
Dihydrojasmone
PHCD compound ID : 3616
Chemical Names :
Dihydrojasmone
Molecular Formula : C11H18O1
Molecular Weight : 166.135765
More Details :
Names & Synonyms: 3-methyl-2-pentyl-cyclopent-2-en-1-one , 3-methyl-2-pentyl-1-cyclopent-2-enone , 3-methyl-2-pentylcyclopent-2-en-1-one , 2-amyl-3-methyl-cyclopent-2-en-1-one
Smiles: CCCCCC1=C(C)CCC1=O
InChi : InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
InChi Key : InChIKey=YCIXWYOBMVNGTB-UHFFFAOYSA-N
PubChem ID : 62378
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.680964
Hydrogen bond donor count : 0 Electric dipole moment : 4.117
XLogP : 2.651 VDW volume : 189.97314
Molecular weight : 166.135765 HOMO-LUMO gap : 9.739000
Herb list :
Refrences & Litretures:
  
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
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