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ScientificNameLabel
trans-carvone oxide
PHCD compound ID : 3538
Chemical Names :
trans-carvone oxide
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptan-5-one , 6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-5-one , 6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-5-one
Smiles: CC(=C)[C@@H]1CC(=O)[C@]2([C@@H](C1)O2)C
InChi : InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m1/s1
InChi Key : InChIKey=YGMNGQDLUQECTO-QNSHHTMESA-N
PubChem ID : 100031
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.049238
Hydrogen bond donor count : 0 Electric dipole moment : 2.932
XLogP : 0.812 VDW volume : 169.110924
Molecular weight : 166.09938 HOMO-LUMO gap : 10.383000
Herb list :
Refrences & Litretures:
  
494.      Journal:'Journal of Essential Oil Research'      Year:'2005'      Volume:'17'      Page:'565'      DOI:'10.1080/10412905.2005.9698996'      Title:'Chemical Constituents of Essential Oils from Tanacetum balsamita L. ssp. balsamitoides (Schultz-Bip.) Grierson. from Iran'
495.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'1'      DOI:'10.1080/10412905.2002.9699741'      Title:'Composition of the Essential Oil of Tanacetum balsamita L. ssp. balsamitoides (Schultz Bip.) Grierson from Iran'
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