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2,6,10,14-tetramethyl-Heptadecane
PHCD compound ID : 4135
Chemical Names :
2,6,10,14-tetramethyl-Heptadecane
Molecular Formula : C21H44
Molecular Weight : 296.344301
More Details :
Names & Synonyms: 2,6,10,14-tetramethylheptadecane
Smiles: CCC[C@H](CCC[C@H](CCC[C@@H](CCCC(C)C)C)C)C
InChi : InChI=1S/C21H44/c1-7-11-19(4)14-9-15-21(6)17-10-16-20(5)13-8-12-18(2)3/h18-21H,7-17H2,1-6H3/t19-,20-,21-/m1/s1
InChi Key : InChIKey=CIGFWENQAXVDOM-NJDAHSKKSA-N
PubChem ID : 29036
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.550014
Hydrogen bond donor count : 0 Electric dipole moment : 0.134
XLogP : 12.045 VDW volume : 371.772136
Molecular weight : 296.344301 HOMO-LUMO gap : 14.477000
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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