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Compound: 5546
Plants: 312
References: 992
Visitors: 38
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Heptacosene
ScientificNameLabel
Heptacosene
PHCD compound ID :
1423
Chemical Names :
Heptacosene , 1-Heptacosene
Molecular Formula :
C27H54
Molecular Weight :
378.422552
More Details :
Names & Synonyms:
heptacos-1-ene , 1-heptacosene
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChi :
InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-27H2,2H3
InChi Key :
InChIKey=YYLACZAXCCJCJO-UHFFFAOYSA-N
PubChem ID :
528971
Rotatable bond count :
24
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
9.935539
Hydrogen bond donor count :
0
Electric dipole moment :
0.513
XLogP :
15.337
VDW volume :
472.911585
Molecular weight :
378.422552
HOMO-LUMO gap :
11.113000
Herb list :
Erio yarrow - Achillea eriophora - بومادران
Red pepper - Capsicum annuum - فلفل قرمز
Refrences & Litretures:
152. Journal:'Int. J. Agric. Biol' Year:'2011' Volume:'12' Page:'527' DOI:'' Title:'Chemical Composition of the Essential Oils of some Achillea Species Growing Wild in Turkey'
542. Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech' Year:'2015' Volume:'320' Page:'95' DOI:'' Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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