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ScientificNameLabel
leptospermone
PHCD compound ID : 4560
Chemical Names :
leptospermone
Molecular Formula : C15H22O4
Molecular Weight : 266.151809
More Details :
Names & Synonyms: 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione , 2,2,4,4-tetramethyl-6-(3-methyl-1-oxobutyl)cyclohexane-1,3,5-trione , 6-isovaleryl-2,2,4,4-tetramethyl-cyclohexane-1,3,5-trione
Smiles: CC(CC(=O)C1C(=O)C(C)(C)C(=O)C(C1=O)(C)C)C
InChi : InChI=1S/C15H22O4/c1-8(2)7-9(16)10-11(17)14(3,4)13(19)15(5,6)12(10)18/h8,10H,7H2,1-6H3
InChi Key : InChIKey=YDWYMAHAWHBPPT-UHFFFAOYSA-N
PubChem ID : 3083632
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.255956
Hydrogen bond donor count : 0 Electric dipole moment : 2.281
XLogP : 1.18 VDW volume : 280.254841
Molecular weight : 266.151809 HOMO-LUMO gap : 10.191000
Herb list :
Refrences & Litretures:
  
698.      Journal:'Journal of Essential Oil Research'      Year:'2015'      Volume:'27'      Page:'465'      DOI:'10.1080/10412905.2015.1065773'      Title:'Chemical composition of essential oils of leaves and flowers from five cultivars of myrtle (Myrtus communis L.)'
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