Skip Navigation Links
ScientificNameLabel
(Z)-3-Hexenyl-2-methyl butyrate
PHCD compound ID : 5365
Chemical Names :
(Z)-3-Hexenyl-2-methyl butyrate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: hex-3-enyl 2-methylbutanoate , 2-methylbutanoic acid hex-3-enyl ester , 2-methylbutyric acid hex-3-enyl ester
Smiles: CCC=CCCOC(=O)[C@@H](CC)C
InChi : InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1
InChi Key : InChIKey=JKKGTSUICJWEKB-SNVBAGLBSA-N
PubChem ID : 61467
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.559224
Hydrogen bond donor count : 0 Electric dipole moment : 1.698
XLogP : 3.328 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.812000
Herb list :
Refrences & Litretures:
  
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us