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ScientificNameLabel
caprylic ether
PHCD compound ID : 1724
Chemical Names :
caprylic ether
Molecular Formula : C16H34O1
Molecular Weight : 242.260966
More Details :
Names & Synonyms: 1-octoxyoctane
Smiles: CCCCCCCCOCCCCCCCC
InChi : InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChi Key : InChIKey=NKJOXAZJBOMXID-UHFFFAOYSA-N
PubChem ID : 12399
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 9.760238
Hydrogen bond donor count : 0 Electric dipole moment : 1.227
XLogP : 7.272 VDW volume : 294.082439
Molecular weight : 242.260966 HOMO-LUMO gap : 12.213000
Herb list :
Refrences & Litretures:
  
194.      Journal:'J Nat Pharm Prod'      Year:'2015'      Volume:'10'      Page:'e21968'      DOI:'10.17795/jjnpp-21968'      Title:'Essential Oil of Arial Parts of Adiantum capillus-veneris: Chemical Composition and Antioxidant Activity'
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