2-Methyl-2-cyclopentenone

ScientificNameLabel

2-Methyl-2-cyclopentenone
PHCD compound ID :	4789
Chemical Names :	2-Methyl-2-cyclopentenone
Molecular Formula :	C6H8O1
Molecular Weight :	96.057515

More Details :

Names & Synonyms:	2-methylcyclopent-2-en-1-one , 2-methyl-1-cyclopent-2-enone
Smiles:	O=C1CCC=C1C
InChi :	InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChi Key :	InChIKey=ZSBWUNDRDHVNJL-UHFFFAOYSA-N
PubChem ID :	14266

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.042636
Hydrogen bond donor count :	0	Electric dipole moment :	3.213
XLogP :	0.418	VDW volume :	103.493217
Molecular weight :	96.057515	HOMO-LUMO gap :	9.976000

Herb list :

Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار

Refrences & Litretures:


772. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'964' DOI:'10.1080/0972060X.2012.10662600' Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'

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