Hexanedioic dioctyl ester

ScientificNameLabel

Hexanedioic dioctyl ester
PHCD compound ID :	1646
Chemical Names :	Hexanedioic dioctyl ester
Molecular Formula :	C22H42O4
Molecular Weight :	370.30831

More Details :

Names & Synonyms:	dioctyl hexanedioate , hexanedioic acid dioctyl ester , adipic acid dioctyl ester
Smiles:	CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
InChi :	InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChi Key :	InChIKey=NEHDRDVHPTWWFG-UHFFFAOYSA-N
PubChem ID :	31271

Rotatable bond count :	21	Rule of five :	2
Hydrogen bond acceptor count :	4	Ionization potential :	10.632431
Hydrogen bond donor count :	0	Electric dipole moment :	2.821
XLogP :	7.9	VDW volume :	418.95611
Molecular weight :	370.30831	HOMO-LUMO gap :	11.707000

Herb list :

Egyptian willow - Salix aegyptiaca - بيدمشك

Refrences & Litretures:


183. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'543' DOI:'10.1080/0972060X.2011.10643971' Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'

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