cis-hexanol

ScientificNameLabel

cis-hexanol
PHCD compound ID :	949
Chemical Names :	cis-hexanol
Molecular Formula :	C6H12O1
Molecular Weight :	100.088815

More Details :

Names & Synonyms:	hex-1-en-1-ol , 1-hexen-1-ol
Smiles:	CCCC/C=C/O
InChi :	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+
InChi Key :	InChIKey=JHEPBQHNVNUAFL-AATRIKPKSA-N
PubChem ID :	53955250

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.212125
Hydrogen bond donor count :	1	Electric dipole moment :	1.827
XLogP :	2.418	VDW volume :	118.486134
Molecular weight :	100.088815	HOMO-LUMO gap :	10.389000

Herb list :

Kotschyam thyme - Thymus kotschyanus - آويشن

Refrences & Litretures:


77. Journal:'Annals of Biological Research' Year:'2012' Volume:'3' Page:'1443' DOI:'' Title:'Comparative Study of the Essential Oil Chemical Composition of Thymus Kotschyanus Boiss. & Hohen var. kotschyanus from Iran'

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

Follow us