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ScientificNameLabel
1,3-Bis-(2-cyclopropyl,2-methylcyclopropyl)-but-2-en-1-one
PHCD compound ID : 3845
Chemical Names :
1,3-Bis-(2-cyclopropyl,2-methylcyclopropyl)-but-2-en-1-one
Molecular Formula : C18H26O1
Molecular Weight : 258.198365
More Details :
Names & Synonyms: (Z)-1,3-bis(2-cyclopropyl-2-methyl-cyclopropyl)but-2-en-1-one , (Z)-1,3-bis(2-cyclopropyl-2-methylcyclopropyl)-2-buten-1-one , (Z)-1,3-bis(2-cyclopropyl-2-methylcyclopropyl)but-2-en-1-one
Smiles: C/C(=C/C(=O)[C@@H]1C[C@]1(C)C1CC1)/[C@H]1C[C@@]1(C)C1CC1
InChi : InChI=1S/C18H26O/c1-11(14-9-17(14,2)12-4-5-12)8-16(19)15-10-18(15,3)13-6-7-13/h8,12-15H,4-7,9-10H2,1-3H3/b11-8-/t14-,15+,17+,18-/m1/s1
InChi Key : InChIKey=ZUFMIVCEIDLVIU-YEWOHILGSA-N
PubChem ID : 5362887
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.598256
Hydrogen bond donor count : 0 Electric dipole moment : 2.702
XLogP : 5.596 VDW volume : 273.975656
Molecular weight : 258.198365 HOMO-LUMO gap : 10.007000
Herb list :
Refrences & Litretures:
  
519.      Journal:'International Journal of Technology Enhancements and Emerging Engineering Research'      Year:'2014'      Volume:'2'      Page:'120'      DOI:''      Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
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