1,1-Diethoxyoctane

ScientificNameLabel

1,1-Diethoxyoctane
PHCD compound ID :	2355
Chemical Names :	1,1-Diethoxyoctane
Molecular Formula :	C12H26O2
Molecular Weight :	202.19328

More Details :

Names & Synonyms:	1,1-diethoxyoctane
Smiles:	CCCCCCCC(OCC)OCC
InChi :	InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3
InChi Key :	InChIKey=BRKIPAWFUDCCOO-UHFFFAOYSA-N
PubChem ID :	101364

Rotatable bond count :	10	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.899134
Hydrogen bond donor count :	0	Electric dipole moment :	2.195
XLogP :	4.476	VDW volume :	233.688728
Molecular weight :	202.19328	HOMO-LUMO gap :	12.204000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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