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ScientificNameLabel
2-Hexadecanol
PHCD compound ID : 1677
Chemical Names :
2-Hexadecanol
Molecular Formula : C16H34O1
Molecular Weight : 242.260966
More Details :
Names & Synonyms: hexadecan-2-ol , 2-hexadecanol
Smiles: CCCCCCCCCCCCCC[C@H](O)C
InChi : InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3/t16-/m1/s1
InChi Key : InChIKey=FVDRFBGMOWJEOR-MRXNPFEDSA-N
PubChem ID : 85779
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.482834
Hydrogen bond donor count : 1 Electric dipole moment : 1.802
XLogP : 7.57 VDW volume : 294.082439
Molecular weight : 242.260966 HOMO-LUMO gap : 13.510000
Herb list :
Refrences & Litretures:
  
189.      Journal:'Biochemical Systematics and Ecology'      Year:'2012'      Volume:'41'      Page:'6'      DOI:'10.1016/j.bse.2011.11.003'      Title:'Metabolic ?ngerprinting investigation of Tussilago farfara L. by GC–MS and multivariate data analysis'
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