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ScientificNameLabel
1,7-Dicyclopentyl-4-n-octylheptane
PHCD compound ID : 268
Chemical Names :
1,7-Dicyclopentyl-4-n-octylheptane
Molecular Formula : C25H48
Molecular Weight : 348.375602
More Details :
Names & Synonyms: 4-(3-cyclopentylpropyl)dodecylcyclopentane
Smiles: CCCCCCCCC(CCCC1CCCC1)CCCC1CCCC1
InChi : InChI=1S/C25H48/c1-2-3-4-5-6-7-14-25(21-12-19-23-15-8-9-16-23)22-13-20-24-17-10-11-18-24/h23-25H,2-22H2,1H3
InChi Key : InChIKey=ZMXUNXRABSSJDU-UHFFFAOYSA-N
PubChem ID : 294711
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.543547
Hydrogen bond donor count : 0 Electric dipole moment : 0.111
XLogP : 13.702 VDW volume : 416.243157
Molecular weight : 348.375602 HOMO-LUMO gap : 14.274000
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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