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ScientificNameLabel
2-Pentadecyn-1-ol
PHCD compound ID : 1087
Chemical Names :
2-Pentadecyn-1-ol
Molecular Formula : C15H28O1
Molecular Weight : 224.214016
More Details :
Names & Synonyms: pentadec-2-yn-1-ol , 2-pentadecyn-1-ol
Smiles: CCCCCCCCCCCCC#CCO
InChi : InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-12,15H2,1H3
InChi Key : InChIKey=PFHRFJSUAGQBFE-UHFFFAOYSA-N
PubChem ID : 534429
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 10.034503
Hydrogen bond donor count : 1 Electric dipole moment : 1.593
XLogP : 6.522 VDW volume : 271.513537
Molecular weight : 224.214016 HOMO-LUMO gap : 11.369000
Herb list :
Refrences & Litretures:
  
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
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