2,6-dimethylheptadecane

ScientificNameLabel

2,6-dimethylheptadecane
PHCD compound ID :	5473
Chemical Names :	2,6-dimethylheptadecane
Molecular Formula :	C19H40
Molecular Weight :	268.313001

More Details :

Names & Synonyms:	2,6-dimethylheptadecane
Smiles:	CCCCCCCCCCC[C@H](CCCC(C)C)C
InChi :	InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-16-19(4)17-14-15-18(2)3/h18-19H,5-17H2,1-4H3/t19-/m1/s1
InChi Key :	InChIKey=RHDKKTYWDZUSCS-LJQANCHMSA-N
PubChem ID :	545603

Rotatable bond count :	14	Rule of five :	2
Hydrogen bond acceptor count :	0	Ionization potential :	10.678858
Hydrogen bond donor count :	0	Electric dipole moment :	0.182
XLogP :	11.029	VDW volume :	337.180167
Molecular weight :	268.313001	HOMO-LUMO gap :	14.663000

Herb list :

Horehound - Marrubium vulgare L - فراسیون

Refrences & Litretures:


915. Journal:'International Journal of Plant Science and Ecology' Year:'2015' Volume:'1' Page:'138' DOI:'' Title:'Essential Oil Composition of Marrubium vulgare L. Cultivated in Egypt'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us