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ScientificNameLabel
Neoisothujanol
PHCD compound ID : 1473
Chemical Names :
Neoisothujanol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (3R,4S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-ol , (3R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanol , (3R,4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol , (3R,4S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-ol
Smiles: O[C@@H]1C[C@@]2([C@H]([C@@H]1C)C2)C(C)C
InChi : InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m0/s1
InChi Key : InChIKey=DZVXRFMREAADPP-AXTSPUMRSA-N
PubChem ID : 91752746
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.291931
Hydrogen bond donor count : 1 Electric dipole moment : 1.627
XLogP : 2.847 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.648000
Herb list :
Refrences & Litretures:
  
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
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