Octadecyne-5

ScientificNameLabel

Octadecyne-5
PHCD compound ID :	2572
Chemical Names :	Octadecyne-5
Molecular Formula :	C18H34
Molecular Weight :	250.266051

More Details :

Names & Synonyms:	octadec-5-yne , 5-octadecyne
Smiles:	CCCCCCCCCCCCC#CCCCC
InChi :	InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-9,11,13-18H2,1-2H3
InChi Key :	InChIKey=LSZUIKJDOHTNDU-UHFFFAOYSA-N
PubChem ID :	522434

Rotatable bond count :	12	Rule of five :	2
Hydrogen bond acceptor count :	0	Ionization potential :	9.922946
Hydrogen bond donor count :	0	Electric dipole moment :	0.117
XLogP :	9.372	VDW volume :	314.611265
Molecular weight :	250.266051	HOMO-LUMO gap :	11.731000

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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