neopentanediol

ScientificNameLabel

neopentanediol
PHCD compound ID :	3024
Chemical Names :	neopentanediol
Molecular Formula :	C5H12O2
Molecular Weight :	104.08373

More Details :

Names & Synonyms:	2,2-dimethylpropane-1,1-diol
Smiles:	OC(C(C)(C)C)O
InChi :	InChI=1S/C5H12O2/c1-5(2,3)4(6)7/h4,6-7H,1-3H3
InChi Key :	InChIKey=QPYKYDBKQYZEKG-UHFFFAOYSA-N
PubChem ID :	5242120

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.751700
Hydrogen bond donor count :	2	Electric dipole moment :	0.720
XLogP :	0.439	VDW volume :	112.616835
Molecular weight :	104.08373	HOMO-LUMO gap :	13.506000

Herb list :

Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا

Refrences & Litretures:


384. Journal:'Cent. Eur. J. Chem' Year:'2013' Volume:'11' Page:'1699' DOI:'10.2478/s11532-013-0295-3' Title:'Antioxidant and chemical properties of Inula helenium root extracts'

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