2-(2,2-Diethoxyethoxy)-1,1-diethoxyethane - CAS 56999-16-7

Catalog:	BB029559
Product Name:	2-(2,2-Diethoxyethoxy)-1,1-diethoxyethane
CAS:	56999-16-7
Synonyms:	2-(2,2-diethoxyethoxy)-1,1-diethoxyethane; 2-(2,2-diethoxyethoxy)-1,1-diethoxyethane

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2,2-diethoxyethoxy)-1,1-diethoxyethane
Description:	2-(2,2-Diethoxyethoxy)-1,1-diethoxyethane (CAS# 56999-16-7) is a useful research chemical.
Molecular Weight:	250.33
Molecular Formula:	C12H26O5
Canonical SMILES:	CCOC(COCC(OCC)OCC)OCC
InChI:	InChI=1S/C12H26O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h11-12H,5-10H2,1-4H3
InChI Key:	ISSXEHJFYXCGSK-UHFFFAOYSA-N
Boiling Point:	291.3 °C at 760 mmHg
Density:	0.965 g/cm³
LogP:	1.80120

Publication Number	Title	Priority Date
EP-3426635-A1	3-oxa-8-azabicyclo[3.2.1]octane derivatives and thier use in the treatment of cancer and hemoglobinopathies	20160309
US-10519167-B2	3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies	20160309
US-2019092786-A1	3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies	20160309
US-2020087320-A1	3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies	20160309
WO-2017153519-A1	3-oxa-8-azabicyclo[3.2.1]octane derivatives and thier use in the treatment of cancer and hemoglobinopathies	20160309

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.17802393
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.17802393
Rotatable Bond Count:	12
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3