Methyl 9,9-Dideutero-Octadecanoate

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Methyl 9,9-Dideutero-Octadecanoate
PHCD compound ID :	5455
Chemical Names :	Methyl 9,9-Dideutero-Octadecanoate
Molecular Formula :	C19H38O2
Molecular Weight :	298.28718

More Details :

Names & Synonyms:	methyl 9,9-dideuteriooctadecanoate , 9,9-dideuteriooctadecanoic acid methyl ester , 9,9-dideuteriostearic acid methyl ester
Smiles:	CCCCCCCCCCCCCCCCCC(=O)OC
InChi :	InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
InChi Key :	InChIKey=HPEUJPJOZXNMSJ-UHFFFAOYSA-N
PubChem ID :	154574132

Rotatable bond count :	17	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.744237
Hydrogen bond donor count :	0	Electric dipole moment :	1.789
XLogP :	9.029	VDW volume :	352.124161
Molecular weight :	298.28718	HOMO-LUMO gap :	11.869000

Herb list :

Wild olive, Russian olive, Oleaster - Elaeagnus angustifolia - سنجد

Refrences & Litretures:


908. Journal:'Journal of Herbal Drugs' Year:'2015' Volume:'6' Page:'109' DOI:'' Title:'Essential oil composition of Elaeagnus angustifolia and Elaeagnus orientalis from Sistan and Baluchestan, Iran'

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