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ScientificNameLabel
4-Methyldocosane
PHCD compound ID : 262
Chemical Names :
4-Methyldocosane
Molecular Formula : C23H48
Molecular Weight : 324.375602
More Details :
Names & Synonyms: 4-methyldocosane
Smiles: CCCCCCCCCCCCCCCCCC[C@H](CCC)C
InChi : InChI=1S/C23H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2/h23H,4-22H2,1-3H3/t23-/m0/s1
InChi Key : InChIKey=ATAWCABZIRDUSP-QHCPKHFHSA-N
PubChem ID : 520181
Rotatable bond count : 19 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.436979
Hydrogen bond donor count : 0 Electric dipole moment : 0.069
XLogP : 13.366 VDW volume : 406.364105
Molecular weight : 324.375602 HOMO-LUMO gap : 14.375000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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