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ScientificNameLabel
3,5-Dimethyl-4-ethylidenecyclohex-2-ene-l-one
PHCD compound ID : 896
Chemical Names :
3,5-Dimethyl-4-ethylidenecyclohex-2-ene-l-one
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms:
Smiles: C/C=C/1\[C@H](C)CC(=O)C=C1C
InChi : InChI=1S/C10H14O/c1-4-10-7(2)5-9(11)6-8(10)3/h4-5,8H,6H2,1-3H3/b10-4-/t8-/m1/s1
InChi Key : InChIKey=WEROIFPFLMDTNI-YXSUAUNDSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.452813
Hydrogen bond donor count : 0 Electric dipole moment : 4.957
XLogP : 2.219 VDW volume : 170.040697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.035000
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'
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