1-Octanol,2-butyl-

ScientificNameLabel

1-Octanol,2-butyl-
PHCD compound ID :	3831
Chemical Names :	1-Octanol,2-butyl-
Molecular Formula :	C12H26O1
Molecular Weight :	186.198365

More Details :

Names & Synonyms:	2-butyloctan-1-ol , 2-butyl-1-octanol
Smiles:	CCCCCC[C@@H](CCCC)CO
InChi :	InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChi Key :	InChIKey=XMVBHZBLHNOQON-GFCCVEGCSA-N
PubChem ID :	19800

Rotatable bond count :	9	Rule of five :	1
Hydrogen bond acceptor count :	1	Ionization potential :	10.346488
Hydrogen bond donor count :	1	Electric dipole moment :	2.067
XLogP :	5.131	VDW volume :	224.898501
Molecular weight :	186.198365	HOMO-LUMO gap :	13.311000

Herb list :

Aloe - Aloe vera - صبر زرد

Refrences & Litretures:


515. Journal:'World J. Agric. Sci' Year:'2009' Volume:'5' Page:'572' DOI:'' Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'

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

Follow us