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Compound: 5546
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References: 992
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8-methylheptadecane
ScientificNameLabel
8-methylheptadecane
PHCD compound ID :
4290
Chemical Names :
8-methylheptadecane
Molecular Formula :
C18H38
Molecular Weight :
254.297351
More Details :
Names & Synonyms:
8-methylheptadecane
Smiles:
CCCCCCCCC[C@@H](CCCCCCC)C
InChi :
InChI=1S/C18H38/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-17H2,1-3H3/t18-/m1/s1
InChi Key :
InChIKey=AFKUSTCGONJZHE-GOSISDBHSA-N
PubChem ID :
292723
Rotatable bond count :
14
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.667921
Hydrogen bond donor count :
0
Electric dipole moment :
0.069
XLogP :
10.521
VDW volume :
319.884182
Molecular weight :
254.297351
HOMO-LUMO gap :
14.600000
Herb list :
Nettle, Stinging nettle - Urtica dioica - گزنه دو پایه، گزنه
Refrences & Litretures:
619. Journal:'Iranian Journal of Plant Physiology' Year:'2012' Volume:'2' Page:'339' DOI:'' Title:'Investigating the chemical composition of different parts extracts of bipod nettle Urtica dioica L. in Tonekabon region'
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