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3.4-Heptadien-2-one.3-cyclopentyl-6-methyl-
PHCD compound ID : 3757
Chemical Names :
3.4-Heptadien-2-one.3-cyclopentyl-6-methyl-
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: 3-cyclopentyl-6-methyl-hepta-3,4-dien-2-one , 3-cyclopentyl-6-methyl-2-hepta-3,4-dienone , 3-cyclopentyl-6-methylhepta-3,4-dien-2-one
Smiles: CC(C=C=C(C(=O)C)C1CCCC1)C
InChi : InChI=1S/C13H20O/c1-10(2)8-9-13(11(3)14)12-6-4-5-7-12/h8,10,12H,4-7H2,1-3H3/t9-/m1/s1
InChi Key : InChIKey=ZGVGSONYUNQYKI-SECBINFHSA-N
PubChem ID : 538501
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.725368
Hydrogen bond donor count : 0 Electric dipole moment : 3.850
XLogP : 5.83 VDW volume : 221.928651
Molecular weight : 192.151415 HOMO-LUMO gap : 9.754000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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