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4,4-Dimethyladamantan-2-ol
PHCD compound ID : 3922
Chemical Names :
4,4-Dimethyladamantan-2-ol
Molecular Formula : C12H20O1
Molecular Weight : 180.151415
More Details :
Names & Synonyms: 4,4-dimethyladamantan-2-ol , 4,4-dimethyl-2-adamantanol
Smiles: O[C@H]1[C@H]2C[C@H]3C[C@@H]1C([C@@H](C2)C3)(C)C
InChi : InChI=1S/C12H20O/c1-12(2)9-4-7-3-8(6-9)11(13)10(12)5-7/h7-11,13H,3-6H2,1-2H3/t7-,8+,9-,10+,11+/m1/s1
InChi Key : InChIKey=YXZBIMVVDGZENJ-XXFSISAASA-N
PubChem ID : 590284
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.892418
Hydrogen bond donor count : 1 Electric dipole moment : 2.235
XLogP : 3.373 VDW volume : 187.829125
Molecular weight : 180.151415 HOMO-LUMO gap : 13.006000
Herb list :
Refrences & Litretures:
  
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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