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ScientificNameLabel
cis-carvotanacetol
PHCD compound ID : 2951
Chemical Names :
cis-carvotanacetol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1S,5S)-5-isopropyl-2-methyl-cyclohex-2-en-1-ol , (1S,5S)-2-methyl-5-propan-2-yl-1-cyclohex-2-enol , (1S,5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol , (1S,5S)-2-methyl-5-propan-2-yl-cyclohex-2-en-1-ol
Smiles: CC([C@H]1CC=C([C@H](C1)O)C)C
InChi : InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9-11H,5-6H2,1-3H3/t9-,10-/m0/s1
InChi Key : InChIKey=FZXLDENMTYEVAD-UWVGGRQHSA-N
PubChem ID : 12233170
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.268972
Hydrogen bond donor count : 1 Electric dipole moment : 1.942
XLogP : 2.515 VDW volume : 175.313614
Molecular weight : 154.135765 HOMO-LUMO gap : 10.505000
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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