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ScientificNameLabel
Carvone oxide
PHCD compound ID : 3541
Chemical Names :
Carvone oxide
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: (1R,3R,6R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptan-5-one , (1R,3R,6R)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-5-one , (1R,3R,6R)-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-/m0/s1
InChi Key : InChIKey=YGMNGQDLUQECTO-SFGNSQDASA-N
PubChem ID : 442462
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.973789
Hydrogen bond donor count : 0 Electric dipole moment : 3.163
XLogP : 0.812 VDW volume : 169.110924
Molecular weight : 166.09938 HOMO-LUMO gap : 10.364000
Herb list :
Refrences & Litretures:
  
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
541.      Journal:'Journal of Essential Oil Research'      Year:'2005'      Volume:'17'      Page:'153'      DOI:'10.1080/10412905.2005.9698862'      Title:'Studies on Essential Oil Composition of Cultivars of Black Pepper (Piper nigrum L.)—V'
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