Skip Navigation Links
ScientificNameLabel
2-Nonanyl acetate
PHCD compound ID : 3128
Chemical Names :
2-Nonanyl acetate
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: 1-methyloctyl acetate , acetic acid nonan-2-yl ester , nonan-2-yl acetate , nonan-2-yl ethanoate , acetic acid 1-methyloctyl ester
Smiles: CCCCCCC[C@H](OC(=O)C)C
InChi : InChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3/t10-/m1/s1
InChi Key : InChIKey=GSUGVJOUDSLEBL-SNVBAGLBSA-N
PubChem ID : 85788
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.704514
Hydrogen bond donor count : 0 Electric dipole moment : 2.199
XLogP : 4.327 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.935000
Herb list :
Refrences & Litretures:
  
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us