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ScientificNameLabel
6-Methyl-gamma-(E)-ionone
PHCD compound ID : 3369
Chemical Names :
6-Methyl-gamma-(E)-ionone
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: (E)-4-(2,2,3-trimethyl-6-methylene-cyclohexyl)but-3-en-2-one , (E)-4-(2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one , (E)-4-(2,2,3-trimethyl-6-methylidenecyclohexyl)but-3-en-2-one , (E)-4-(2,2,3-trimethyl-6-methylidene-cyclohexyl)but-3-en-2-one
Smiles: CC(=O)/C=C/[C@@H]1C(=C)CC[C@H](C1(C)C)C
InChi : InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13-/m1/s1
InChi Key : InChIKey=MVPDTCQYNRKWJA-UULPFXLMSA-N
PubChem ID : 11458409
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.820981
Hydrogen bond donor count : 0 Electric dipole moment : 2.697
XLogP : 4.656 VDW volume : 239.224635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.815000
Herb list :
Refrences & Litretures:
  
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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