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ScientificNameLabel
d-piperitone
PHCD compound ID : 1421
Chemical Names :
d-piperitone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-one , (6S)-3-methyl-6-propan-2-yl-1-cyclohex-2-enone , (6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one , (6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one
Smiles: CC1=CC(=O)[C@@H](CC1)C(C)C
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=YSTPAHQEHQSRJD-VIFPVBQESA-N
PubChem ID : 61362
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.652892
Hydrogen bond donor count : 0 Electric dipole moment : 4.655
XLogP : 2.238 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.714000
Herb list :
Refrences & Litretures:
  
152.      Journal:'Int. J. Agric. Biol'      Year:'2011'      Volume:'12'      Page:'527'      DOI:''      Title:'Chemical Composition of the Essential Oils of some Achillea Species Growing Wild in Turkey'
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