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Compound: 5546
Plants: 312
References: 992
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4-Tridecene
ScientificNameLabel
4-Tridecene
PHCD compound ID :
227
Chemical Names :
4-Tridecene
Molecular Formula :
C13H26
Molecular Weight :
182.203451
More Details :
Names & Synonyms:
(E)-tridec-4-ene , (E)-4-tridecene
Smiles:
CCCCCCCC/C=C/CCC
InChi :
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10-13H2,1-2H3/b9-7+
InChi Key :
InChIKey=UJZLNVCZGZKIHR-VQHVLOKHSA-N
PubChem ID :
5463211
Rotatable bond count :
9
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.527930
Hydrogen bond donor count :
0
Electric dipole moment :
0.127
XLogP :
7.221
VDW volume :
230.7678
Molecular weight :
182.203451
HOMO-LUMO gap :
10.819000
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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