2-Acetoxydodecane

ScientificNameLabel

2-Acetoxydodecane
PHCD compound ID :	3126
Chemical Names :	2-Acetoxydodecane
Molecular Formula :	C14H28O2
Molecular Weight :	228.20893

More Details :

Names & Synonyms:	1-methylundecyl acetate , acetic acid dodecan-2-yl ester , dodecan-2-yl acetate , dodecan-2-yl ethanoate , acetic acid 1-methylundecyl ester
Smiles:	CCCCCCCCCC[C@H](OC(=O)C)C
InChi :	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13(2)16-14(3)15/h13H,4-12H2,1-3H3/t13-/m1/s1
InChi Key :	InChIKey=XLJMENIXMPTZGN-CYBMUJFWSA-N
PubChem ID :	536310

Rotatable bond count :	11	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.690937
Hydrogen bond donor count :	0	Electric dipole moment :	2.166
XLogP :	6.034	VDW volume :	265.644238
Molecular weight :	228.20893	HOMO-LUMO gap :	11.922000

Herb list :

Rue - Ruta graveolens - سداب

Refrences & Litretures:


426. Journal:'Jordan Journal of Biological Sciences' Year:'2015' Volume:'8' Page:'139' DOI:'' Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'

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