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Compound: 5546
Plants: 312
References: 992
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1-Cyclohexylnonene
ScientificNameLabel
1-Cyclohexylnonene
PHCD compound ID :
237
Chemical Names :
1-Cyclohexylnonene
Molecular Formula :
C15H28
Molecular Weight :
208.219101
More Details :
Names & Synonyms:
[(E)-non-1-enyl]cyclohexane
Smiles:
CCCCCCC/C=C/C1CCCCC1
InChi :
InChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h9,12,15H,2-8,10-11,13-14H2,1H3/b12-9+
InChi Key :
InChIKey=MBCLPXXVLKGFPM-FMIVXFBMSA-N
PubChem ID :
5364533
Rotatable bond count :
7
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.525687
Hydrogen bond donor count :
0
Electric dipole moment :
0.072
XLogP :
7.954
VDW volume :
253.003311
Molecular weight :
208.219101
HOMO-LUMO gap :
10.768000
Herb list :
Ispaghula, Spogel seed plantain - Plantago ovata - اسفرزه، بارهنگ تخم مرغی
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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