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ScientificNameLabel
Cycloheptanemethanol
PHCD compound ID : 218
Chemical Names :
Cycloheptanemethanol
Molecular Formula : C8H16O1
Molecular Weight : 128.120115
More Details :
Names & Synonyms: cycloheptylmethanol
Smiles: OCC1CCCCCC1
InChi : InChI=1S/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2
InChi Key : InChIKey=BMCQFFXPECPDPS-UHFFFAOYSA-N
PubChem ID : 78193
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.454468
Hydrogen bond donor count : 1 Electric dipole moment : 1.708
XLogP : 2.515 VDW volume : 143.358104
Molecular weight : 128.120115 HOMO-LUMO gap : 13.359000
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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