Skip Navigation Links
ScientificNameLabel
1,5,8-p-Menthatriene
PHCD compound ID : 3364
Chemical Names :
1,5,8-p-Menthatriene , p-Mentha-1,5,8-Triene
Molecular Formula : C10H14
Molecular Weight : 134.10955
More Details :
Names & Synonyms: 5-isopropenyl-2-methyl-cyclohexa-1,3-diene , 2-methyl-5-(1-methylethenyl)cyclohexa-1,3-diene , 2-methyl-5-prop-1-en-2-ylcyclohexa-1,3-diene , 2-methyl-5-prop-1-en-2-yl-cyclohexa-1,3-diene
Smiles: CC1=CC[C@@H](C=C1)C(=C)C
InChi : InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3/t10-/m1/s1
InChi Key : InChIKey=NJLNIOKPXKKALD-SNVBAGLBSA-N
PubChem ID : 527424
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.804676
Hydrogen bond donor count : 0 Electric dipole moment : 0.780
XLogP : 3.725 VDW volume : 161.25047
Molecular weight : 134.10955 HOMO-LUMO gap : 9.139000
Herb list :
Refrences & Litretures:
  
458.      Journal:'J Food Sci Technol'      Year:'2010'      Volume:'47'      Page:'598'      DOI:'10.1007/s13197-010-0109-y'      Title:'Chemical composition of Nigella sativa L. seed extracts obtained by supercritical carbon dioxide'
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us