Cyclohexane-1-ethyl-2methyl

ScientificNameLabel

Cyclohexane-1-ethyl-2methyl
PHCD compound ID :	1355
Chemical Names :	Cyclohexane-1-ethyl-2methyl
Molecular Formula :	C9H18
Molecular Weight :	126.140851

More Details :

Names & Synonyms:	1-ethyl-2-methyl-cyclohexane , 1-ethyl-2-methylcyclohexane
Smiles:	CC[C@H]1CCCC[C@@H]1C
InChi :	InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChi Key :	InChIKey=XARGIVYWQPXRTC-IUCAKERBSA-N
PubChem ID :	35413

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	10.499235
Hydrogen bond donor count :	0	Electric dipole moment :	0.098
XLogP :	4.999	VDW volume :	151.863862
Molecular weight :	126.140851	HOMO-LUMO gap :	14.375000

Herb list :

Rice - Oryza sativa - برنج

Refrences & Litretures:


145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'

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