1-Methoxycyclohexene

ScientificNameLabel

1-Methoxycyclohexene
PHCD compound ID :	4518
Chemical Names :	1-Methoxycyclohexene
Molecular Formula :	C7H12O1
Molecular Weight :	112.088815

More Details :

Names & Synonyms:	1-methoxycyclohexene
Smiles:	COC1=CCCCC1
InChi :	InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChi Key :	InChIKey=HZFQGYWRFABYSR-UHFFFAOYSA-N
PubChem ID :	70264

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.730921
Hydrogen bond donor count :	0	Electric dipole moment :	2.119
XLogP :	1.75	VDW volume :	123.42566
Molecular weight :	112.088815	HOMO-LUMO gap :	10.142000

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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