4,4'-dimethyl-hexanal

ScientificNameLabel

4,4'-dimethyl-hexanal
PHCD compound ID :	4608
Chemical Names :	4,4'-dimethyl-hexanal
Molecular Formula :	C8H16O1
Molecular Weight :	128.120115

More Details :

Names & Synonyms:	4,4-dimethylhexanal
Smiles:	CCC(CCC=O)(C)C
InChi :	InChI=1S/C8H16O/c1-4-8(2,3)6-5-7-9/h7H,4-6H2,1-3H3
InChi Key :	InChIKey=LIARQDWTSIPOCX-UHFFFAOYSA-N
PubChem ID :	22218

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.087042
Hydrogen bond donor count :	0	Electric dipole moment :	2.877
XLogP :	3.408	VDW volume :	153.078104
Molecular weight :	128.120115	HOMO-LUMO gap :	10.861000

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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