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5,9,9-trimethyl-spiro[3.5]non-5-en-1-on
PHCD compound ID : 1326
Chemical Names :
5,9,9-trimethyl-spiro[3.5]non-5-en-1-on
Molecular Formula : C12H18O1
Molecular Weight : 178.135765
More Details :
Names & Synonyms: 5,9,9-trimethylspiro[3.5]non-5-en-3-one , 5,9,9-trimethyl-3-spiro[3.5]non-5-enone
Smiles: CC1=CCCC([C@]21CCC2=O)(C)C
InChi : InChI=1S/C12H18O/c1-9-5-4-7-11(2,3)12(9)8-6-10(12)13/h5H,4,6-8H2,1-3H3/t12-/m0/s1
InChi Key : InChIKey=WXAXIKDJOCBHSZ-LBPRGKRZSA-N
PubChem ID : 578422
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.325632
Hydrogen bond donor count : 0 Electric dipole moment : 2.605
XLogP : 3.133 VDW volume : 194.912666
Molecular weight : 178.135765 HOMO-LUMO gap : 10.262000
Herb list :
Refrences & Litretures:
  
142.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2013'      Volume:'12'      Page:'367'      DOI:''      Title:'Effect of Laurus nobilis L. Essential Oil and its Main Components on ?-glucosidase and Reactive Oxygen Species Scavenging Activity'
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