Skip Navigation Links
ScientificNameLabel
1-Octanoate
PHCD compound ID : 2073
Chemical Names :
1-Octanoate
Molecular Formula : C8H15O2
Molecular Weight : 143.107205
More Details :
Names & Synonyms: octanoate , caprylate
Smiles: CCCCCCCC(=O)[O-]
InChi : InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
InChi Key : InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
PubChem ID : 119389
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 4.300574
Hydrogen bond donor count : 0 Electric dipole moment : 18.517
XLogP : 2.537 VDW volume : 160.550101
Molecular weight : 143.107205 HOMO-LUMO gap : 10.392000
Herb list :
Refrences & Litretures:
  
249.      Journal:'Pak. J. Bot'      Year:'2008'      Volume:'40'      Page:'2553'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF TAMARINDUS INDICA L. MEDICINAL PLANT IN SINDH'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us