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4,6-Dimethyl-dodecane
PHCD compound ID : 5461
Chemical Names :
4,6-Dimethyl-dodecane
Molecular Formula : C14H30
Molecular Weight : 198.234751
More Details :
Names & Synonyms: 4,6-dimethyldodecane
Smiles: CCCCCC[C@H](C[C@H](CCC)C)C
InChi : InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3/t13-,14+/m0/s1
InChi Key : InChIKey=FNUQJWPIADDMRS-UONOGXRCSA-N
PubChem ID : 545627
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.629365
Hydrogen bond donor count : 0 Electric dipole moment : 0.064
XLogP : 8.184 VDW volume : 250.700243
Molecular weight : 198.234751 HOMO-LUMO gap : 14.583000
Herb list :
Refrences & Litretures:
  
909.      Journal:'Adv Pharm Bull'      Year:'2016'      Volume:'6'      Page:'163'      DOI:'10.15171/apb.2016.023'      Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
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