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1,2-Cyclohexanediol,1-methyl-4-(1-methylethenyl)-
PHCD compound ID : 1243
Chemical Names :
1,2-Cyclohexanediol,1-methyl-4-(1-methylethenyl)-
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 4-isopropenyl-1-methyl-cyclohexane-1,2-diol , 1-methyl-4-(1-methylethenyl)cyclohexane-1,2-diol , 1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol , 1-methyl-4-prop-1-en-2-yl-cyclohexane-1,2-diol
Smiles: CC(=C)[C@@H]1CC[C@]([C@@H](C1)O)(C)O
InChi : InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1
InChi Key : InChIKey=WKZWTZTZWGWEGE-BBBLOLIVSA-N
PubChem ID : 94217
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.733918
Hydrogen bond donor count : 2 Electric dipole moment : 2.892
XLogP : 1.703 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.925000
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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