Dihydroionone

ScientificNameLabel

Dihydroionone
PHCD compound ID :	2577
Chemical Names :	Dihydroionone
Molecular Formula :	C13H22O1
Molecular Weight :	194.167065

More Details :

Names & Synonyms:	(E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one , (E)-4-(2,2,6-trimethylcyclohexyl)-3-buten-2-one
Smiles:	CC(=O)/C=C/[C@H]1[C@H](C)CCCC1(C)C
InChi :	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,10,12H,5-6,9H2,1-4H3/b8-7+/t10-,12+/m1/s1
InChi Key :	InChIKey=YJRODKCOICMRBO-XEEGDWHKSA-N
PubChem ID :	6431122

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.966201
Hydrogen bond donor count :	0	Electric dipole moment :	3.232
XLogP :	4.955	VDW volume :	224.565109
Molecular weight :	194.167065	HOMO-LUMO gap :	10.047000

Herb list :

White mallow, Marsh-mallow - Althaea officinalis - ختمی

Refrences & Litretures:


299. Journal:'J. Med. Plants Res' Year:'2011' Volume:'5' Page:'6972' DOI:'' Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'

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