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3,7-dimethyl-1,3,7-octatriene
PHCD compound ID : 2029
Chemical Names :
3,7-dimethyl-1,3,7-octatriene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: 3,7-dimethylocta-1,3,7-triene
Smiles: C=C/C(=C/CCC(=C)C)/C
InChi : InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
InChi Key : InChIKey=XJPBRODHZKDRCB-CSKARUKUSA-N
PubChem ID : 101720
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.261555
Hydrogen bond donor count : 0 Electric dipole moment : 1.077
XLogP : 4.17 VDW volume : 173.606929
Molecular weight : 136.125201 HOMO-LUMO gap : 9.802000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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