5-Methyl-2-hexanone

ScientificNameLabel

5-Methyl-2-hexanone
PHCD compound ID :	5495
Chemical Names :	5-Methyl-2-hexanone
Molecular Formula :	C7H14O1
Molecular Weight :	114.104465

More Details :

Names & Synonyms:	5-methylhexan-2-one , 5-methyl-2-hexanone
Smiles:	CC(CCC(=O)C)C
InChi :	InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChi Key :	InChIKey=FFWSICBKRCICMR-UHFFFAOYSA-N
PubChem ID :	8034

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.088831
Hydrogen bond donor count :	0	Electric dipole moment :	3.092
XLogP :	2.084	VDW volume :	135.782119
Molecular weight :	114.104465	HOMO-LUMO gap :	11.057000

Herb list :

Common dandelion - Taraxacum officinale - گل قاصدک

Refrences & Litretures:


922. Journal:'Acta Physiol Plant' Year:'2010' Volume:'32' Page:'231' DOI:'10.1007/s11738-009-0381-5' Title:'Essential oil composition of Taraxacum of?cinale'

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