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ScientificNameLabel
Hepta-2,5-dien-l-ol
PHCD compound ID : 1513
Chemical Names :
Hepta-2,5-dien-l-ol
Molecular Formula : C7H12O1
Molecular Weight : 112.088815
More Details :
Names & Synonyms: (2E,5E)-hepta-2,5-dien-1-ol , (2E,5E)-1-hepta-2,5-dienol
Smiles: C/C=C/C/C=C/CO
InChi : InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2+,6-5+
InChi Key : InChIKey=ZKKRKBOEKNOTPX-ZIMISOLQSA-N
PubChem ID : 12418165
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.715185
Hydrogen bond donor count : 1 Electric dipole moment : 2.419
XLogP : 2.02 VDW volume : 133.14566
Molecular weight : 112.088815 HOMO-LUMO gap : 10.484000
Herb list :
Refrences & Litretures:
  
162.      Journal:'Phytochemistry'      Year:'1992'      Volume:'31'      Page:'571'      DOI:''      Title:'VOLATILE COMPONENTS OF VIOLET LEAVES'
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