2-methyl-3-buten-2-o1

ScientificNameLabel

2-methyl-3-buten-2-o1
PHCD compound ID :	5267
Chemical Names :	2-methyl-3-buten-2-o1
Molecular Formula :	C5H10O1
Molecular Weight :	86.073165

More Details :

Names & Synonyms:	2-methylbut-3-en-2-ol , 2-methyl-3-buten-2-ol
Smiles:	C=CC(O)(C)C
InChi :	InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChi Key :	InChIKey=HNVRRHSXBLFLIG-UHFFFAOYSA-N
PubChem ID :	8257

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.244609
Hydrogen bond donor count :	1	Electric dipole moment :	2.014
XLogP :	0.752	VDW volume :	101.19015
Molecular weight :	86.073165	HOMO-LUMO gap :	11.229000

Herb list :

European verbena, Vervain - Verbena officinalis L - شاه پسند

Refrences & Litretures:


842. Journal:'Journal of Essential Oil Research' Year:'1996' Volume:'8' Page:'419' DOI:'10.1080/10412905.1996.9700653' Title:'Chemical Composition of the Leaf Oil of Verbena officinalis L'

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