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2,2,6-Trimethyl-6-vinyl dihydropyran-3-one
PHCD compound ID : 1430
Chemical Names :
2,2,6-Trimethyl-6-vinyl dihydropyran-3-one
Molecular Formula : C11H16O1
Molecular Weight : 164.120115
More Details :
Names & Synonyms: 4,6,6-trimethyl-4-vinyl-cyclohex-2-en-1-one , 4-ethenyl-4,6,6-trimethyl-1-cyclohex-2-enone , 4-ethenyl-4,6,6-trimethylcyclohex-2-en-1-one , 4-ethenyl-4,6,6-trimethyl-cyclohex-2-en-1-one
Smiles: C=C[C@]1(C)C=CC(=O)C(C1)(C)C
InChi : InChI=1S/C11H16O/c1-5-11(4)7-6-9(12)10(2,3)8-11/h5-7H,1,8H2,2-4H3/t11-/m1/s1
InChi Key : InChIKey=POKLXQZSXUILKQ-LLVKDONJSA-N
PubChem ID : 6429044
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.685081
Hydrogen bond donor count : 0 Electric dipole moment : 3.930
XLogP : 3.038 VDW volume : 187.336681
Molecular weight : 164.120115 HOMO-LUMO gap : 9.586000
Herb list :
Refrences & Litretures:
  
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
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