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3,7,11,15-Tetramethyl hexadecanoic acid
PHCD compound ID : 2567
Chemical Names :
3,7,11,15-Tetramethyl hexadecanoic acid
Molecular Formula : C20H40O2
Molecular Weight : 312.302831
More Details :
Names & Synonyms: 3,7,11,15-tetramethylhexadecanoic acid , 3,7,11,15-tetramethylpalmitic acid
Smiles: C[C@H](CCC[C@@H](CC(=O)O)C)CCC[C@@H](CCCC(C)C)C
InChi : InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18+,19+/m1/s1
InChi Key : InChIKey=RLCKHJSFHOZMDR-QYZOEREBSA-N
PubChem ID : 26840
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.475447
Hydrogen bond donor count : 1 Electric dipole moment : 1.929
XLogP : 9.602 VDW volume : 369.420146
Molecular weight : 312.302831 HOMO-LUMO gap : 11.439000
Herb list :
Refrences & Litretures:
  
298.      Journal:'Analytical Chemistry Letters'      Year:'2012'      Volume:'2'      Page:'363'      DOI:'10.1080/22297928.2012.10662621'      Title:'Chemical Composition of Fatty Acid from Different Parts of Descurainia Sophia L. Growing Wild in North of Iran'
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