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ScientificNameLabel
(E)-Octenyl cyclopentanone
PHCD compound ID : 5554
Chemical Names :
(E)-Octenyl cyclopentanone
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: 2-[(E)-oct-2-enyl]cyclopentanone , 2-[(E)-oct-2-enyl]-1-cyclopentanone , 2-[(E)-oct-2-enyl]cyclopentan-1-one , 2-[(E)-oct-2-enyl]cyclopentan-1-one
Smiles: CCCCC/C=C/C[C@H]1CCCC1=O
InChi : InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+/t12-/m0/s1
InChi Key : InChIKey=QHEUOYOHVATZEB-SYTKJHMZSA-N
PubChem ID : 5367848
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.709156
Hydrogen bond donor count : 0 Electric dipole moment : 3.316
XLogP : 4.111 VDW volume : 224.565109
Molecular weight : 194.167065 HOMO-LUMO gap : 10.604000
Herb list :
Refrences & Litretures:
  
939.      Journal:'Cellular and Molecular Biology'      Year:'2017'      Volume:'63'      Page:'1'      DOI:'10.14715/cmb/2017.63.9.1'      Title:'Bioactive chemical compounds in Eremurus persicus (Joub. & Spach) Boiss. essential oil and their health implications'
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