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4-(2,6,6-trimethyl-1-cyclohexen-1-YL)-3-penten-2-one
PHCD compound ID : 1739
Chemical Names :
4-(2,6,6-trimethyl-1-cyclohexen-1-YL)-3-penten-2-one
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)pent-3-en-2-one , (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-penten-2-one
Smiles: CC(=O)/C=C(/C1=C(C)CCCC1(C)C)\C
InChi : InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h9H,6-8H2,1-5H3/b11-9+
InChi Key : InChIKey=XPPDQTDYEFKZHS-PKNBQFBNSA-N
PubChem ID : 5375216
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.316349
Hydrogen bond donor count : 0 Electric dipole moment : 3.199
XLogP : 4.042 VDW volume : 239.224635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.534000
Herb list :
Refrences & Litretures:
  
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
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