2,3-Dimethyl-2,3-butanediol

ScientificNameLabel

2,3-Dimethyl-2,3-butanediol
PHCD compound ID :	4516
Chemical Names :	2,3-Dimethyl-2,3-butanediol
Molecular Formula :	C6H14O2
Molecular Weight :	118.09938

More Details :

Names & Synonyms:	2,3-dimethylbutane-2,3-diol , pinacol
Smiles:	CC(C(O)(C)C)(O)C
InChi :	InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
InChi Key :	InChIKey=IVDFJHOHABJVEH-UHFFFAOYSA-N
PubChem ID :	6425

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.193489
Hydrogen bond donor count :	2	Electric dipole moment :	2.675
XLogP :	0.546	VDW volume :	129.91282
Molecular weight :	118.09938	HOMO-LUMO gap :	12.848000

Herb list :

Lime - Citrus aurantifolia - لیمو عمانی، لیمو ترش

Refrences & Litretures:


672. Journal:'Molecules' Year:'2012' Volume:'17' Page:'11173' DOI:'10.3390/molecules170911173' Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'

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