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ScientificNameLabel
p-mentha-1,4,8-triene
PHCD compound ID : 1602
Chemical Names :
p-mentha-1,4,8-triene
Molecular Formula : C10H14
Molecular Weight : 134.10955
More Details :
Names & Synonyms: 1-isopropenyl-4-methyl-cyclohexa-1,4-diene , 1-methyl-4-(1-methylethenyl)cyclohexa-1,4-diene , 1-methyl-4-prop-1-en-2-ylcyclohexa-1,4-diene , 1-methyl-4-prop-1-en-2-yl-cyclohexa-1,4-diene
Smiles: CC1=CCC(=CC1)C(=C)C
InChi : InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,7H,1,5-6H2,2-3H3
InChi Key : InChIKey=SCBBUPSCKNUDCO-UHFFFAOYSA-N
PubChem ID : 527141
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.943566
Hydrogen bond donor count : 0 Electric dipole moment : 0.872
XLogP : 3.776 VDW volume : 161.25047
Molecular weight : 134.10955 HOMO-LUMO gap : 10.046000
Herb list :
Refrences & Litretures:
  
178.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'262'      DOI:'10.1080/10412905.2004.9698716'      Title:'Comparative Investigation of the Essential Oils of Achillea talagonica Boiss. and A. millefolium, Chemical Composition and Immunological Studies'
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