5-methylhexanal

ScientificNameLabel

5-methylhexanal
PHCD compound ID :	4607
Chemical Names :	5-methylhexanal
Molecular Formula :	C7H14O1
Molecular Weight :	114.104465

More Details :

Names & Synonyms:	5-methylhexanal
Smiles:	O=CCCCC(C)C
InChi :	InChI=1S/C7H14O/c1-7(2)5-3-4-6-8/h6-7H,3-5H2,1-2H3
InChi Key :	InChIKey=GEKRISJWBAIIAA-UHFFFAOYSA-N
PubChem ID :	15827

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.132658
Hydrogen bond donor count :	0	Electric dipole moment :	2.926
XLogP :	2.802	VDW volume :	135.782119
Molecular weight :	114.104465	HOMO-LUMO gap :	10.864000

Herb list :

Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ

Refrences & Litretures:


715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'

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