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ScientificNameLabel
7-oxabicyclo[4.1.0]heptan-2-one-3methyl-6-(1-methyl)
PHCD compound ID : 1887
Chemical Names :
7-oxabicyclo[4.1.0]heptan-2-one-3methyl-6-(1-methyl)
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: 6-isopropyl-3-methyl-7-oxabicyclo[4.1.0]heptan-2-one , 3-methyl-6-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
Smiles: O=C1[C@H](C)CC[C@@]2([C@H]1O2)C(C)C
InChi : InChI=1S/C10H16O2/c1-6(2)10-5-4-7(3)8(11)9(10)12-10/h6-7,9H,4-5H2,1-3H3/t7-,9+,10+/m1/s1
InChi Key : InChIKey=ROVXCLHKSQINCN-JEZHCXPESA-N
PubChem ID : 549742
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.890844
Hydrogen bond donor count : 0 Electric dipole moment : 4.293
XLogP : 1.298 VDW volume : 171.747382
Molecular weight : 168.11503 HOMO-LUMO gap : 10.355000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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