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ScientificNameLabel
6-Methyl-alpha-(E)-ionone
PHCD compound ID : 3354
Chemical Names :
6-Methyl-alpha-(E)-ionone
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: (E)-4-(1,2,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one , (E)-4-(1,2,6,6-tetramethyl-1-cyclohex-2-enyl)-3-buten-2-one
Smiles: CC(=O)/C=C/[C@@]1(C)C(=CCCC1(C)C)C
InChi : InChI=1S/C14H22O/c1-11-7-6-9-13(3,4)14(11,5)10-8-12(2)15/h7-8,10H,6,9H2,1-5H3/b10-8+/t14-/m0/s1
InChi Key : InChIKey=MOLZHSROFREFLG-PLWJUESGSA-N
PubChem ID : 5371122
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.395065
Hydrogen bond donor count : 0 Electric dipole moment : 3.023
XLogP : 5.024 VDW volume : 239.224635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.493000
Herb list :
Refrences & Litretures:
  
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
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