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ScientificNameLabel
5-hydroxy-p-menth-6-en-2-one
PHCD compound ID : 2952
Chemical Names :
5-hydroxy-p-menth-6-en-2-one
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: 4-hydroxy-5-isopropyl-2-methyl-cyclohex-2-en-1-one , 4-hydroxy-2-methyl-5-propan-2-yl-1-cyclohex-2-enone , 4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one , 2-methyl-4-oxidanyl-5-propan-2-yl-cyclohex-2-en-1-one
Smiles: CC([C@H]1CC(=O)C(=C[C@H]1O)C)C
InChi : InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10-/m1/s1
InChi Key : InChIKey=ZFUJCNJIGDBFEP-PSASIEDQSA-N
PubChem ID : 14106048
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.095523
Hydrogen bond donor count : 1 Electric dipole moment : 1.427
XLogP : 1.386 VDW volume : 181.467382
Molecular weight : 168.11503 HOMO-LUMO gap : 9.700000
Herb list :
Refrences & Litretures:
  
374.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'589'      DOI:'10.1080/10412905.1997.9700783'      Title:'Essential Oils of Curcuma longa L. from Bhutan'
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