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2,8-Dimethy-undecane
PHCD compound ID : 5082
Chemical Names :
2,8-Dimethy-undecane
Molecular Formula : C13H28
Molecular Weight : 184.219101
More Details :
Names & Synonyms: 2,8-dimethylundecane
Smiles: CCC[C@H](CCCCCC(C)C)C
InChi : InChI=1S/C13H28/c1-5-9-13(4)11-8-6-7-10-12(2)3/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChi Key : InChIKey=HBILMYFNYGGWLO-CYBMUJFWSA-N
PubChem ID : 519384
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.681140
Hydrogen bond donor count : 0 Electric dipole moment : 0.118
XLogP : 7.615 VDW volume : 233.404259
Molecular weight : 184.219101 HOMO-LUMO gap : 14.612000
Herb list :
Refrences & Litretures:
  
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
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