2,6-Dimetylheptane

ScientificNameLabel

2,6-Dimetylheptane
PHCD compound ID :	5438
Chemical Names :	2,6-Dimetylheptane
Molecular Formula :	C9H20
Molecular Weight :	128.156501

More Details :

Names & Synonyms:	2,6-dimethylheptane
Smiles:	CC(CCCC(C)C)C
InChi :	InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3
InChi Key :	InChIKey=KBPCCVWUMVGXGF-UHFFFAOYSA-N
PubChem ID :	14069

Rotatable bond count :	4	Rule of five :	1
Hydrogen bond acceptor count :	0	Ionization potential :	10.722175
Hydrogen bond donor count :	0	Electric dipole moment :	0.117
XLogP :	5.339	VDW volume :	164.22032
Molecular weight :	128.156501	HOMO-LUMO gap :	14.812000

Herb list :

Cornelian cherry, Dogwood - Cornus mas - زغال اخته، ذغال اخته

Refrences & Litretures:


903. Journal:'Chemistry of Natural Compounds' Year:'2011' Volume:'47' Page:'646' DOI:'10.1007/s10600-011-0020-4' Title:'Constituent composition of essential oil from Cornus mas flowers'

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