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ScientificNameLabel
Pentatriacontane
PHCD compound ID : 936
Chemical Names :
Ethyl tritriacontane , Pentatriacontane , Methyl tetratriacontane
Molecular Formula : C35H72
Molecular Weight : 492.563402
More Details :
Names & Synonyms: pentatriacontane
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChi : InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChi Key : InChIKey=VHQQPFLOGSTQPC-UHFFFAOYSA-N
PubChem ID : 12413
Rotatable bond count : 32 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.539768
Hydrogen bond donor count : 0 Electric dipole moment : 0.147
XLogP : 20.255 VDW volume : 613.915921
Molecular weight : 492.563402 HOMO-LUMO gap : 14.462000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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