Tetrahydro-3,6-dimethyl-pyran-2-one

ScientificNameLabel

Tetrahydro-3,6-dimethyl-pyran-2-one
PHCD compound ID :	3123
Chemical Names :	Tetrahydro-3,6-dimethyl-pyran-2-one
Molecular Formula :	C7H12O2
Molecular Weight :	128.08373

More Details :

Names & Synonyms:	3,6-dimethyltetrahydropyran-2-one , 3,6-dimethyl-2-oxanone , 3,6-dimethyloxan-2-one
Smiles:	C[C@H]1CC[C@H](C(=O)O1)C
InChi :	InChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChi Key :	InChIKey=QVPKQLPQAUWJAE-RITPCOANSA-N
PubChem ID :	19490

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.268803
Hydrogen bond donor count :	0	Electric dipole moment :	4.832
XLogP :	1.33	VDW volume :	132.215887
Molecular weight :	128.08373	HOMO-LUMO gap :	11.559000

Herb list :

Rue - Ruta graveolens - سداب

Refrences & Litretures:


426. Journal:'Jordan Journal of Biological Sciences' Year:'2015' Volume:'8' Page:'139' DOI:'' Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'

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