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ScientificNameLabel
2-methyl-5-(1-methylethyl)-(1alpha,2beta,5alpha)-bicyclo[3.1.0]hexan-2-ol
PHCD compound ID : 4120
Chemical Names :
2-methyl-5-(1-methylethyl)-(1alpha,2beta,5alpha)-bicyclo[3.1.0]hexan-2-ol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: (1R,4R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol , (1R,4R)-4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanol , (1R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol , (1R,4R)-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-OPRDCNLKSA-N
PubChem ID : 6431628
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.252366
Hydrogen bond donor count : 1 Electric dipole moment : 2.201
XLogP : 2.756 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.423000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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