m-Dioxane,2,4-dimethyl-

ScientificNameLabel

m-Dioxane,2,4-dimethyl-
PHCD compound ID :	4575
Chemical Names :	m-Dioxane,2,4-dimethyl-
Molecular Formula :	C6H12O2
Molecular Weight :	116.08373

More Details :

Names & Synonyms:	2,4-dimethyl-1,3-dioxane
Smiles:	C[C@@H]1CCO[C@@H](O1)C
InChi :	InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChi Key :	InChIKey=VREPYGYMOSZTKJ-RITPCOANSA-N
PubChem ID :	13009

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.953791
Hydrogen bond donor count :	0	Electric dipole moment :	1.904
XLogP :	1.035	VDW volume :	117.556361
Molecular weight :	116.08373	HOMO-LUMO gap :	12.234000

Herb list :

Wild garlic - Allium hirtifolium - موسیر

Refrences & Litretures:


703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'

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

Follow us