2-octyne

ScientificNameLabel

2-octyne
PHCD compound ID :	4380
Chemical Names :	2-octyne
Molecular Formula :	C8H14
Molecular Weight :	110.10955

More Details :

Names & Synonyms:	oct-2-yne , 2-octyne
Smiles:	CCCCCC#CC
InChi :	InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H3
InChi Key :	InChIKey=QCQALVMFTWRCFI-UHFFFAOYSA-N
PubChem ID :	17769

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.971308
Hydrogen bond donor count :	0	Electric dipole moment :	0.111
XLogP :	3.787	VDW volume :	141.651418
Molecular weight :	110.10955	HOMO-LUMO gap :	11.823000

Herb list :

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


650. Journal:'Span J Agric Res' Year:'2014' Volume:'12' Page:'1166' DOI:'10.5424/sjar/2014124-6527' Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'

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