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ScientificNameLabel
Phytone
PHCD compound ID : 3886
Chemical Names :
Phytone
Molecular Formula : C18H36O1
Molecular Weight : 268.276616
More Details :
Names & Synonyms: (6R,10R)-6,10,14-trimethylpentadecan-2-one , (6R,10R)-6,10,14-trimethyl-2-pentadecanone
Smiles: C[C@H](CCCC(C)C)CCC[C@H](CCCC(=O)C)C
InChi : InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1
InChi Key : InChIKey=WHWDWIHXSPCOKZ-IAGOWNOFSA-N
PubChem ID : 1810793
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.090071
Hydrogen bond donor count : 0 Electric dipole moment : 3.184
XLogP : 8.221 VDW volume : 326.03795
Molecular weight : 268.276616 HOMO-LUMO gap : 11.048000
Herb list :
Refrences & Litretures:
  
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
910.      Journal:'Mediterranean Journal of Chemistry'      Year:'2020'      Volume:'10'      Page:'13'      DOI:'10.13171/mjc101020211198kem'      Title:'Chemical composition and insecticidal activity of Anacyclus pyrethrum essential oil from the Bensliman area against Culex pipiens'
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