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ScientificNameLabel
carvotanaceton
PHCD compound ID : 5295
Chemical Names :
carvotanaceton
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (5S)-5-isopropyl-2-methyl-cyclohex-2-en-1-one , (5S)-2-methyl-5-propan-2-yl-1-cyclohex-2-enone , (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one , (5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one , (5S)-2-methyl-5-propan-2-yl-cyclohex-2-en-1-one
Smiles: CC([C@H]1CC=C(C(=O)C1)C)C
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=WPGPCDVQHXOMQP-VIFPVBQESA-N
PubChem ID : 6432475
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.841334
Hydrogen bond donor count : 0 Electric dipole moment : 3.591
XLogP : 2.572 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.850000
Herb list :
Refrences & Litretures:
  
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
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