2-Octene

ScientificNameLabel

2-Octene
PHCD compound ID :	69
Chemical Names :	2-Octene
Molecular Formula :	C8H16
Molecular Weight :	112.125201

More Details :

Names & Synonyms:	oct-2-ene , 2-octene
Smiles:	CCCCC/C=C/C
InChi :	InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChi Key :	InChIKey=ILPBINAXDRFYPL-HWKANZROSA-N
PubChem ID :	8126

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.575143
Hydrogen bond donor count :	0	Electric dipole moment :	0.064
XLogP :	4.481	VDW volume :	144.287877
Molecular weight :	112.125201	HOMO-LUMO gap :	10.844000

Herb list :

Harmel - Peganum harmala - اسپند، اسفند

Refrences & Litretures:


4. Journal:'Journal of Essential Oil Bearing Plants' Year:'2013' Volume:'16' Page:'850' DOI:'10.1080/0972060X.2013.861993' Title:'Chemical Composition of Peganum harmala Smoke and Volatile Oil'

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