3-Heptadecen-5-yne

ScientificNameLabel

3-Heptadecen-5-yne
PHCD compound ID :	2578
Chemical Names :	3-Heptadecen-5-yne
Molecular Formula :	C17H30
Molecular Weight :	234.234751

More Details :

Names & Synonyms:	heptadec-3-en-5-yne
Smiles:	CCCCCCCCCCCC#C/C=C/CC
InChi :	InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8,10,12-17H2,1-2H3/b7-5+
InChi Key :	InChIKey=GVCKROLSPQFVTE-FNORWQNLSA-N
PubChem ID :	556455

Rotatable bond count :	10	Rule of five :	1
Hydrogen bond acceptor count :	0	Ionization potential :	9.118255
Hydrogen bond donor count :	0	Electric dipole moment :	0.532
XLogP :	8.689	VDW volume :	294.678821
Molecular weight :	234.234751	HOMO-LUMO gap :	9.587000

Herb list :

White mallow, Marsh-mallow - Althaea officinalis - ختمی

Refrences & Litretures:


299. Journal:'J. Med. Plants Res' Year:'2011' Volume:'5' Page:'6972' DOI:'' Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'

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