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ScientificNameLabel
D14-Cymene
PHCD compound ID : 3380
Chemical Names :
D14-Cymene
Molecular Formula : C10H14
Molecular Weight : 134.10955
More Details :
Names & Synonyms: 1,2,4,5-tetradeuterio-3-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]-6-(trideuteriomethyl)benzene , 1,2,4,5-tetradeuterio-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(trideuteriomethyl)benzene
Smiles: c1([2H])c([2H])c(c(c(c1C([2H])([2H])[2H])[2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H]
InChi : InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3/i1D3,2D3,3D3,4D,5D,6D,7D,8D
InChi Key : InChIKey=HFPZCAJZSCWRBC-UYAILFBOSA-N
PubChem ID : 90477649
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.094550
Hydrogen bond donor count : 0 Electric dipole moment : 0.176
XLogP : 3.834 VDW volume : 150.35047
Molecular weight : 134.10955 HOMO-LUMO gap : 9.514000
Herb list :
Refrences & Litretures:
  
465.      Journal:'Phytochemistry'      Year:'2001'      Volume:'57'      Page:'681'      DOI:''      Title:'Seasonal variation of monoterpene emission from Malus domestica and Prunus avium'
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