2-Ethoxyacetaldehyde diethylacetal

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CAS Number

4819-77-6

Synonyms

1,1,2-Triethoxyethane

MDL Number

MFCD00040761

Purity

97%

Smiles

CCOCC(OCC)OCC

Chemical Information

1,1,2-Triethoxyethane

CAS Number	4819-77-6
PubChem CID	43390
IUPAC Name	1,1,2-triethoxyethane
Molecular Formula	C8H18O3
Molecular Weight	162.23
XLogP	1
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	69

SMILES

CCOCC(OCC)OCC

InChI

InChI=1S/C8H18O3/c1-4-9-7-8(10-5-2)11-6-3/h8H,4-7H2,1-3H3

InChIKey

VNSJUZIHZNZLKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4819-77-6

CID: 43390

Formula: C8H18O3

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	162.125594432
Monoisotopic Mass	162.125594432
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	69.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR6498-01	2- (Dimethylamino) acetaldehyde diethylacetal
OR10835-01	4-Bromophenoxyacetaldehyde diethylacetal
OR1012880-01	Diethylacetic Acid
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC57070-01	2’-Hydroxy-2,2,2-trifluoroacetophenone
PC49190-01	2- (2,2,2-Trifluoroethoxy) phenol
PC5197-01	2- (2,2,2-Trifluoroethoxy) aniline
PC501699	2,2,2,2',3'-Pentafluoroacetophenone

Catalog	Name
FF149030-01	2-Furaldehyde diethylacetal
MBS6047460-01	Betainealdehyde Diethylacetal Iodide
FG40492-01	Glycidaldehyde diethylacetal
28741769-25g	Acrolein diethylacetal
68614664-01	Propargylaldehyde diethylacetal
FA15803-01	Acetaldehyde diethylacetal
MBS6090241-01	Betainealdehyde Diethylacetal Chloride
sc-254461	3-Chloropropionaldehyde diethylacetal
431283-01	4-Bromophenoxyacetaldehyde diethylacetal
B1081-86B	Betainealdehyde Diethylacetal Iodide discontinued