1,3-pentadiene

ScientificNameLabel

1,3-pentadiene
PHCD compound ID :	1333
Chemical Names :	1,3-pentadiene
Molecular Formula :	C5H8
Molecular Weight :	68.0626

More Details :

Names & Synonyms:	penta-1,3-diene , piperylene
Smiles:	C/C=C/C=C
InChi :	InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InChi Key :	InChIKey=PMJHHCWVYXUKFD-SNAWJCMRSA-N
PubChem ID :	15301

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.210978
Hydrogen bond donor count :	0	Electric dipole moment :	0.803
XLogP :	2.48	VDW volume :	89.763464
Molecular weight :	68.0626	HOMO-LUMO gap :	9.447000

Herb list :

Bay - Laurus nobilis - برگ بو

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


143. Journal:'Journal of Stored Products Research' Year:'2012' Volume:'48' Page:'97' DOI:'10.1016/j.jspr.2011.10.003' Title:'Insecticidal activities of essential oils from leaves of Laurus nobilis L. from Tunisia, Algeria and Morocco, and comparative chemical composition'
651. Journal:'Bioscience Research' Year:'2005' Volume:'2' Page:'107' DOI:'' Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'

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