Skip Navigation Links
ScientificNameLabel
3-Hexen1-ol,acetate
PHCD compound ID : 2612
Chemical Names :
3-Hexen1-ol,acetate , (3E)-Hexenyl acetate , trans-3-hexenyl acetate
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: [(E)-hex-3-enyl] acetate , acetic acid [(E)-hex-3-enyl] ester , [(E)-hex-3-enyl] ethanoate
Smiles: CC/C=C/CCOC(=O)C
InChi : InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
InChi Key : InChIKey=NPFVOOAXDOBMCE-SNAWJCMRSA-N
PubChem ID : 5352557
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.618576
Hydrogen bond donor count : 0 Electric dipole moment : 1.846
XLogP : 2.213 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 10.793000
Herb list :
Refrences & Litretures:
  
304.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2011'      Volume:'2'      Page:'1136'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil from Sinapis alba L. and Sinapis arvensis L. (Brassicaceae) growing wild in Jordan'
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us