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ScientificNameLabel
Dihydro-beta-ionol
PHCD compound ID : 1573
Chemical Names :
Dihydro-beta-ionol
Molecular Formula : C13H24O1
Molecular Weight : 196.182715
More Details :
Names & Synonyms: 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol , 4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butanol
Smiles: C[C@H](CCC1=C(C)CCCC1(C)C)O
InChi : InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3/t11-/m1/s1
InChi Key : InChIKey=VSYLEWGIVLSDIY-LLVKDONJSA-N
PubChem ID : 579336
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.987659
Hydrogen bond donor count : 1 Electric dipole moment : 1.893
XLogP : 3.666 VDW volume : 227.201568
Molecular weight : 196.182715 HOMO-LUMO gap : 10.309000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
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