cis-Rose-oxide

ScientificNameLabel

cis-Rose-oxide
PHCD compound ID :	4321
Chemical Names :	cis-Rose-oxide
Molecular Formula :	C10H18O1
Molecular Weight :	154.135765

More Details :

Names & Synonyms:	(2R,4S)-4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran , (2R,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane
Smiles:	C[C@H]1CCO[C@H](C1)C=C(C)C
InChi :	InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
InChi Key :	InChIKey=CZCBTSFUTPZVKJ-UWVGGRQHSA-N
PubChem ID :	6432154

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.234346
Hydrogen bond donor count :	0	Electric dipole moment :	1.946
XLogP :	2.696	VDW volume :	175.313614
Molecular weight :	154.135765	HOMO-LUMO gap :	10.490000

Herb list :

Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب

Refrences & Litretures:


634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'

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

Follow us