Skip Navigation Links
ScientificNameLabel
Isopiperitenone
PHCD compound ID : 1850
Chemical Names :
Isopiperitenone , 3-methyl-6-(1-methylethenyl)-2-Cyclohexen-1-one
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 6-isopropenyl-3-methyl-cyclohex-2-en-1-one , 3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enone , 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one , 3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one
Smiles: CC1=CC(=O)[C@@H](CC1)C(=C)C
InChi : InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m0/s1
InChi Key : InChIKey=SEZLYIWMVRUIKT-VIFPVBQESA-N
PubChem ID : 79036
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.524955
Hydrogen bond donor count : 0 Electric dipole moment : 4.615
XLogP : 1.536 VDW volume : 170.040697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.525000
Herb list :
Refrences & Litretures:
  
218.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'430'      DOI:'10.1080/10412905.2013.829005'      Title:'Chemical diversity in essential oil composition of Mentha longifolia (L.) Hudson subsp. typhoides (Briq.) Harley var. typhoides from Turkey'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
842.      Journal:'Journal of Essential Oil Research'      Year:'1996'      Volume:'8'      Page:'419'      DOI:'10.1080/10412905.1996.9700653'      Title:'Chemical Composition of the Leaf Oil of Verbena officinalis L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us