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ScientificNameLabel
trans-hydrate-Sabinene
PHCD compound ID : 2847
Chemical Names :
trans-hydrate-Sabinene
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1R,4S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol , (1R,4S)-4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanol , (1R,4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol , (1R,4S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol
Smiles: CC([C@@]12CC[C@]([C@H]2C1)(C)O)C
InChi : InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChi Key : InChIKey=KXSDPILWMGFJMM-KXUCPTDWSA-N
PubChem ID : 12315151
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.127576
Hydrogen bond donor count : 1 Electric dipole moment : 1.416
XLogP : 2.756 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.502000
Herb list :
Refrences & Litretures:
  
353.      Journal:'Portugaliae Electrochimica Acta'      Year:'2011'      Volume:'29'      Page:'127'      DOI:'10.4152/pea.201102127'      Title:'Fennel (Foeniculum Vulgare) Essential Oil as Green Corrosion Inhibitor of Carbon Steel in Hydrochloric Acid Solution'
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