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ScientificNameLabel
Sesquicineol-2-one
PHCD compound ID : 4672
Chemical Names :
Sesquicineol-2-one
Molecular Formula : C15H24O2
Molecular Weight : 236.17763
More Details :
Names & Synonyms: 2,4-dimethyl-2-(4-methylpent-3-enyl)-3-oxabicyclo[2.2.2]octan-5-one
Smiles: CC(=CCC[C@]1(C)O[C@]2(C)CC[C@H]1CC2=O)C
InChi : InChI=1S/C15H24O2/c1-11(2)6-5-8-14(3)12-7-9-15(4,17-14)13(16)10-12/h6,12H,5,7-10H2,1-4H3/t12-,14-,15+/m0/s1
InChi Key : InChIKey=IIQSZTVMBHAEKM-AEGPPILISA-N
PubChem ID : 14610867
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.287760
Hydrogen bond donor count : 0 Electric dipole moment : 3.544
XLogP : 2.831 VDW volume : 255.590847
Molecular weight : 236.17763 HOMO-LUMO gap : 10.158000
Herb list :
Refrences & Litretures:
  
742.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1287'      DOI:'10.1080/0972060X.2014.977572'      Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
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