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ScientificNameLabel
methyl heptenone
PHCD compound ID : 4678
Chemical Names :
methyl heptenone
Molecular Formula : C8H14O1
Molecular Weight : 126.104465
More Details :
Names & Synonyms: oct-4-en-3-one , 4-octen-3-one
Smiles: CCC/C=C/C(=O)CC
InChi : InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChi Key : InChIKey=JPTOCTSNXXKSSN-VOTSOKGWSA-N
PubChem ID : 84216
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.927328
Hydrogen bond donor count : 0 Electric dipole moment : 3.088
XLogP : 2.284 VDW volume : 150.441645
Molecular weight : 126.104465 HOMO-LUMO gap : 9.948000
Herb list :
Refrences & Litretures:
  
743.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'11'      DOI:''      Title:'Antioxidant and antibacterial activities of the essential oils and extracts of Dorema ammoniacum roots and aerial parts'
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