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1,2-Cyclohexanediol,1-methyl-4-(1-methylethyl)-
PHCD compound ID : 1255
Chemical Names :
1,2-Cyclohexanediol,1-methyl-4-(1-methylethyl)-
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 4-isopropyl-1-methyl-cyclohexane-1,2-diol , 1-methyl-4-propan-2-ylcyclohexane-1,2-diol , 1-methyl-4-propan-2-yl-cyclohexane-1,2-diol
Smiles: CC([C@@H]1CC[C@]([C@@H](C1)O)(C)O)C
InChi : InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9,11-12H,4-6H2,1-3H3/t8-,9-,10+/m1/s1
InChi Key : InChIKey=RYLFWQILVNWPEL-BBBLOLIVSA-N
PubChem ID : 36574
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.084488
Hydrogen bond donor count : 2 Electric dipole moment : 2.773
XLogP : 2.519 VDW volume : 186.7403
Molecular weight : 172.14633 HOMO-LUMO gap : 12.756000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
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