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ScientificNameLabel
Oxacyclotetradeca-4,11-diyne
PHCD compound ID : 5459
Chemical Names :
Oxacyclotetradeca-4,11-diyne
Molecular Formula : C13H18O1
Molecular Weight : 190.135765
More Details :
Names & Synonyms: 1-oxacyclotetradeca-4,11-diyne
Smiles: C1CCC#CCCOCCC#CCC1
InChi : InChI=1S/C13H18O/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-5,10-13H2
InChi Key : InChIKey=ISEQOSOYOGJYOG-UHFFFAOYSA-N
PubChem ID : 560917
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.596067
Hydrogen bond donor count : 0 Electric dipole moment : 1.416
XLogP : 3.227 VDW volume : 219.292192
Molecular weight : 190.135765 HOMO-LUMO gap : 11.489000
Herb list :
Refrences & Litretures:
  
909.      Journal:'Adv Pharm Bull'      Year:'2016'      Volume:'6'      Page:'163'      DOI:'10.15171/apb.2016.023'      Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
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