3-Methyl-3-penten-2-one

ScientificNameLabel

3-Methyl-3-penten-2-one
PHCD compound ID :	4514
Chemical Names :	3-Methyl-3-penten-2-one
Molecular Formula :	C6H10O1
Molecular Weight :	98.073165

More Details :

Names & Synonyms:	(E)-3-methylpent-3-en-2-one , (E)-3-methyl-3-penten-2-one
Smiles:	C/C=C(/C(=O)C)\C
InChi :	InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4+
InChi Key :	InChIKey=ZAMCMCQRTZKGDX-SNAWJCMRSA-N
PubChem ID :	5364579

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.978317
Hydrogen bond donor count :	0	Electric dipole moment :	3.570
XLogP :	1.179	VDW volume :	115.849676
Molecular weight :	98.073165	HOMO-LUMO gap :	9.956000

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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