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(E)-5-Undecen-3-yne
ScientificNameLabel
(E)-5-Undecen-3-yne
PHCD compound ID :
4689
Chemical Names :
(E)-5-Undecen-3-yne
Molecular Formula :
C11H18
Molecular Weight :
150.140851
More Details :
Names & Synonyms:
(E)-undec-5-en-3-yne
Smiles:
CCCCC/C=C/C#CCC
InChi :
InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h10-11H,3-5,7,9H2,1-2H3/b11-10+
InChi Key :
InChIKey=HKGRHUQPBWLCLA-ZHACJKMWSA-N
PubChem ID :
5367385
Rotatable bond count :
4
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.153353
Hydrogen bond donor count :
0
Electric dipole moment :
0.283
XLogP :
5.275
VDW volume :
190.902913
Molecular weight :
150.140851
HOMO-LUMO gap :
9.589000
Herb list :
Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر
Refrences & Litretures:
745. Journal:'J. Serb. Chem. Soc' Year:'2011' Volume:'76' Page:'857' DOI:'10.2298/JSC100830074Y' Title:'Composition and in vitro antimicrobial activity of the essential oil of Dorema ammoniacum D. Don. fruit from Iran'
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