Skip Navigation Links
ScientificNameLabel
2-(7-heptadecynyloxy)tetrahydro-2H-Pyran
PHCD compound ID : 3114
Chemical Names :
2-(7-heptadecynyloxy)tetrahydro-2H-Pyran
Molecular Formula : C22H40O2
Molecular Weight : 336.302831
More Details :
Names & Synonyms: 2-heptadec-7-ynoxytetrahydropyran , 2-heptadec-7-ynoxyoxane
Smiles: CCCCCCCCCC#CCCCCCCO[C@@H]1CCCCO1
InChi : InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h22H,2-9,12-21H2,1H3/t22-/m0/s1
InChi Key : InChIKey=ONANHJGDQJCYMD-QFIPXVFZSA-N
PubChem ID : 543312
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.843675
Hydrogen bond donor count : 0 Electric dipole moment : 0.404
XLogP : 8.405 VDW volume : 389.019198
Molecular weight : 336.302831 HOMO-LUMO gap : 11.700000
Herb list :
Refrences & Litretures:
  
414.      Journal:'Veterinary Research Forum'      Year:'2011'      Volume:'2'      Page:'87'      DOI:''      Title:'Effects of Bunium persicum (Boiss.) Essential Oil on the Contractile Responses of Smooth Muscle (An in vitro Study)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us