Hexadecyloxirane

ScientificNameLabel

Hexadecyloxirane
PHCD compound ID :	4355
Chemical Names :	Hexadecyloxirane
Molecular Formula :	C18H36O1
Molecular Weight :	268.276616

More Details :

Names & Synonyms:	2-hexadecyloxirane , 2-cetyloxirane
Smiles:	CCCCCCCCCCCCCCCC[C@H]1CO1
InChi :	InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3/t18-/m0/s1
InChi Key :	InChIKey=QBJWYMFTMJFGOL-SFHVURJKSA-N
PubChem ID :	23872

Rotatable bond count :	15	Rule of five :	2
Hydrogen bond acceptor count :	1	Ionization potential :	10.390032
Hydrogen bond donor count :	0	Electric dipole moment :	2.185
XLogP :	8.594	VDW volume :	316.31795
Molecular weight :	268.276616	HOMO-LUMO gap :	12.688000

Herb list :

Oxtongue flower - Echium amoenum - گل گاو زبان

Refrences & Litretures:


644. Journal:'Int. J. Biosci' Year:'2015' Volume:'6' Page:'156' DOI:'' Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'

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