3-octen-2-one

ScientificNameLabel

3-octen-2-one
PHCD compound ID :	2758
Chemical Names :	3-octen-2-one
Molecular Formula :	C8H14O1
Molecular Weight :	126.104465

More Details :

Names & Synonyms:	(E)-oct-3-en-2-one , (E)-3-octen-2-one
Smiles:	CCCC/C=C/C(=O)C
InChi :	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChi Key :	InChIKey=ZCFOBLITZWHNNC-VOTSOKGWSA-N
PubChem ID :	5363229

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.054097
Hydrogen bond donor count :	0	Electric dipole moment :	3.245
XLogP :	2.6	VDW volume :	150.441645
Molecular weight :	126.104465	HOMO-LUMO gap :	10.041000

Herb list :

Opium poppy - Papaver somniferum - خشخاش، تریاک

Refrences & Litretures:


317. Journal:'J. Agric. Food Chem' Year:'2005' Volume:'53' Page:'8310' DOI:'10.1021/jf0580869' Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us