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ScientificNameLabel
1-Cyclopentyl-4-n-octyldodecane
PHCD compound ID : 269
Chemical Names :
1-Cyclopentyl-4-n-octyldodecane
Molecular Formula : C25H50
Molecular Weight : 350.391252
More Details :
Names & Synonyms: 4-octyldodecylcyclopentane
Smiles: CCCCCCCCC(CCCC1CCCC1)CCCCCCCC
InChi : InChI=1S/C25H50/c1-3-5-7-9-11-13-18-24(19-14-12-10-8-6-4-2)22-17-23-25-20-15-16-21-25/h24-25H,3-23H2,1-2H3
InChi Key : InChIKey=LEMCTUNZNGDMNT-UHFFFAOYSA-N
PubChem ID : 294710
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.332300
Hydrogen bond donor count : 0 Electric dipole moment : 0.177
XLogP : 14.103 VDW volume : 428.599616
Molecular weight : 350.391252 HOMO-LUMO gap : 14.123000
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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