Alpha-Hexylcinnamaldehyde

ScientificNameLabel

Alpha-Hexylcinnamaldehyde
PHCD compound ID :	4339
Chemical Names :	Alpha-Hexylcinnamaldehyde
Molecular Formula :	C15H20O1
Molecular Weight :	216.151415

More Details :

Names & Synonyms:	2-benzylideneoctanal , 2-(phenylmethylene)octanal , 2-(phenylmethylidene)octanal , 2-hexyl-3-phenyl-acrolein
Smiles:	CCCCCC/C(=C\c1ccccc1)/C=O
InChi :	InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChi Key :	InChIKey=GUUHFMWKWLOQMM-NTCAYCPXSA-N
PubChem ID :	7585

Rotatable bond count :	7	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.709469
Hydrogen bond donor count :	0	Electric dipole moment :	2.914
XLogP :	4.889	VDW volume :	240.347703
Molecular weight :	216.151415	HOMO-LUMO gap :	9.300000

Herb list :

Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب

Refrences & Litretures:


635. Journal:'Analytica Chimica Acta' Year:'2006' Volume:'566' Page:'172' DOI:'10.1016/j.aca.2006.03.014' Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'

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