Skip Navigation Links
ScientificNameLabel
3-Methyl-3-butenyl 3-methyl-2-butanoate
PHCD compound ID : 4468
Chemical Names :
3-Methyl-3-butenyl 3-methyl-2-butanoate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 3-methylbut-3-enyl 3-methylbutanoate , 3-methylbutanoic acid 3-methylbut-3-enyl ester , 3-methylbutyric acid 3-methylbut-3-enyl ester
Smiles: CC(CC(=O)OCCC(=C)C)C
InChi : InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3
InChi Key : InChIKey=TYOOXFQTUDXXCL-UHFFFAOYSA-N
PubChem ID : 549297
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.689652
Hydrogen bond donor count : 0 Electric dipole moment : 1.563
XLogP : 2.617 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.854000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us