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ScientificNameLabel
1-Dodecen-3-yne
PHCD compound ID : 1143
Chemical Names :
1-Dodecen-3-yne
Molecular Formula : C12H20
Molecular Weight : 164.156501
More Details :
Names & Synonyms: dodec-1-en-3-yne
Smiles: CCCCCCCCC#CC=C
InChi : InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4,6,8-12H2,2H3
InChi Key : InChIKey=LLESGDAMQLBSDO-UHFFFAOYSA-N
PubChem ID : 556190
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.505284
Hydrogen bond donor count : 0 Electric dipole moment : 0.826
XLogP : 5.994 VDW volume : 208.198898
Molecular weight : 164.156501 HOMO-LUMO gap : 9.829000
Herb list :
Refrences & Litretures:
  
118.      Journal:'British Journal of Nutrition'      Year:'2010'      Volume:'104'      Page:'180'      DOI:'10.1017/S0007114510001765'      Title:'Anti-diabetic effects of lemon balm (Melissa of?cinalis) essential oil on glucose- and lipid-regulating enzymes in type 2 diabetic mice'
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