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ScientificNameLabel
2-isopropyl-5-methyl-3-Cyclohexen-1-one
PHCD compound ID : 4124
Chemical Names :
2-isopropyl-5-methyl-3-Cyclohexen-1-one
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2-isopropyl-5-methyl-cyclohex-3-en-1-one , 5-methyl-2-propan-2-yl-1-cyclohex-3-enone , 5-methyl-2-propan-2-ylcyclohex-3-en-1-one , 5-methyl-2-propan-2-yl-cyclohex-3-en-1-one
Smiles: C[C@@H]1C=C[C@@H](C(=O)C1)C(C)C
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,7-9H,6H2,1-3H3/t8-,9-/m1/s1
InChi Key : InChIKey=GPUOMCZFJZZLJT-RKDXNWHRSA-N
PubChem ID : 573534
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.800079
Hydrogen bond donor count : 0 Electric dipole moment : 2.791
XLogP : 2.388 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.652000
Herb list :
Refrences & Litretures:
  
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'
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