Heptane,3-methyl-

ScientificNameLabel

Heptane,3-methyl-
PHCD compound ID :	2465
Chemical Names :	Heptane,3-methyl-
Molecular Formula :	C8H18
Molecular Weight :	114.140851

More Details :

Names & Synonyms:	3-methylheptane
Smiles:	CCCC[C@@H](CC)C
InChi :	InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3/t8-/m1/s1
InChi Key :	InChIKey=LAIUFBWHERIJIH-MRVPVSSYSA-N
PubChem ID :	11519

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	10.883296
Hydrogen bond donor count :	0	Electric dipole moment :	0.067
XLogP :	4.831	VDW volume :	146.924336
Molecular weight :	114.140851	HOMO-LUMO gap :	14.817000

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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