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Decane,2,3,6-trimethyl
PHCD compound ID : 5126
Chemical Names :
Decane,2,3,6-trimethyl
Molecular Formula : C13H28
Molecular Weight : 184.219101
More Details :
Names & Synonyms: 2,3,6-trimethyldecane
Smiles: CCCC[C@@H](CC[C@H](C(C)C)C)C
InChi : InChI=1S/C13H28/c1-6-7-8-12(4)9-10-13(5)11(2)3/h11-13H,6-10H2,1-5H3/t12-,13+/m0/s1
InChi Key : InChIKey=DACJJZBBMVGDKF-QWHCGFSZSA-N
PubChem ID : 537330
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.556363
Hydrogen bond donor count : 0 Electric dipole moment : 0.090
XLogP : 7.554 VDW volume : 233.404259
Molecular weight : 184.219101 HOMO-LUMO gap : 14.572000
Herb list :
Refrences & Litretures:
  
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
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