Octane,3,4-dimethyl

ScientificNameLabel

Octane,3,4-dimethyl
PHCD compound ID :	2467
Chemical Names :	Octane,3,4-dimethyl
Molecular Formula :	C10H22
Molecular Weight :	142.172151

More Details :

Names & Synonyms:	3,4-dimethyloctane
Smiles:	CCCC[C@H]([C@@H](CC)C)C
InChi :	InChI=1S/C10H22/c1-5-7-8-10(4)9(3)6-2/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChi Key :	InChIKey=QQCWGAMGBCGAQJ-NXEZZACHSA-N
PubChem ID :	85926

Rotatable bond count :	5	Rule of five :	1
Hydrogen bond acceptor count :	0	Ionization potential :	10.699710
Hydrogen bond donor count :	0	Electric dipole moment :	0.013
XLogP :	5.908	VDW volume :	181.516305
Molecular weight :	142.172151	HOMO-LUMO gap :	14.649000

Herb list :

Betony - Stachys lavandulifolia Vahl - چای کوهی، سنبله ای زیبا

Refrences & Litretures:


283. Journal:'J. Bio. & Env. Sci' Year:'2015' Volume:'6' Page:'187' DOI:'' Title:'Identification of the volatile composition of Stachys lavandulifolia Vahl. and Salvia spinosa L. in Isfahan climatic conditions'

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