Heptadecadiene

ScientificNameLabel

Heptadecadiene
PHCD compound ID :	4324
Chemical Names :	Heptadecadiene
Molecular Formula :	C17H32
Molecular Weight :	236.250401

More Details :

Names & Synonyms:	heptadeca-1,3-diene
Smiles:	CCCCCCCCCCCCC/C=C/C=C
InChi :	InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-17H2,2H3/b7-5+
InChi Key :	InChIKey=PEUHBSAKNWEJHZ-FNORWQNLSA-N
PubChem ID :	3016864

Rotatable bond count :	13	Rule of five :	2
Hydrogen bond acceptor count :	0	Ionization potential :	9.217439
Hydrogen bond donor count :	0	Electric dipole moment :	0.801
XLogP :	9.203	VDW volume :	297.31528
Molecular weight :	236.250401	HOMO-LUMO gap :	9.438000

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'

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