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ScientificNameLabel
2,3-dimethyl-2-nonen-4-0lide
PHCD compound ID : 4718
Chemical Names :
2,3-dimethyl-2-nonen-4-0lide
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms:
Smiles: CCCCC[C@H]1OC(=O)C(=C1C)C
InChi : InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3/t10-/m1/s1
InChi Key : InChIKey=LRKURLXWGJNWOJ-SNVBAGLBSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.091994
Hydrogen bond donor count : 0 Electric dipole moment : 5.359
XLogP : 2.931 VDW volume : 198.763367
Molecular weight : 182.13068 HOMO-LUMO gap : 9.883000
Herb list :
Refrences & Litretures:
  
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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