Skip Navigation Links
ScientificNameLabel
Oxiraneoctanoic acid,3-octyl-,methyl ester,cis-
PHCD compound ID : 3649
Chemical Names :
Oxiraneoctanoic acid,3-octyl-,methyl ester,cis-
Molecular Formula : C19H36O3
Molecular Weight : 312.266445
More Details :
Names & Synonyms: methyl 8-[(2S,3R)-3-octyloxiran-2-yl]octanoate , 8-[(2S,3R)-3-octyl-2-oxiranyl]octanoic acid methyl ester , 8-[(2S,3R)-3-octyloxiran-2-yl]caprylic acid methyl ester
Smiles: CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OC
InChi : InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18+/m1/s1
InChi Key : InChIKey=CAMHHLOGFDZBBG-MSOLQXFVSA-N
PubChem ID : 11001473
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 3 Ionization potential : 10.220826
Hydrogen bond donor count : 0 Electric dipole moment : 1.670
XLogP : 6.721 VDW volume : 348.557929
Molecular weight : 312.266445 HOMO-LUMO gap : 11.290000
Herb list :
Refrences & Litretures:
  
509.      Journal:'Asian Pac J Trop Biomed'      Year:'2015'      Volume:'5'      Page:'1033'      DOI:'10.1016/j.apjtb.2015.09.010'      Title:'Gas chromatography mass spectrometry analysis and in vitro antibacterial activity of essential oil from Trigonella foenum-graecum'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us