1- (2,2-diethoxyethoxy) -2-methylbenzene

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CAS Number

117516-63-9

Smiles

C1cccc (c1OCC (OCC) OCC) C

Chemical Information

2-(2,2-Diethoxyethoxy)toluene

CAS Number	117516-63-9
PubChem CID	231396
IUPAC Name	1-(2,2-diethoxyethoxy)-2-methylbenzene
Molecular Formula	C13H20O3
Molecular Weight	224.30
XLogP	3.3
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	167

SMILES

CCOC(COC1=CC=CC=C1C)OCC

InChI

InChI=1S/C13H20O3/c1-4-14-13(15-5-2)10-16-12-9-7-6-8-11(12)3/h6-9,13H,4-5,10H2,1-3H3

InChIKey

WOLBINULTWPZEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117516-63-9

CID: 231396

Formula: C13H20O3

MW: 224.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.30
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	224.14124450
Monoisotopic Mass	224.14124450
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	167
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
OR1068437-01	1- (2,2-Diethoxyethoxy) -4-methylbenzene
OR110556-01	2-Bromo-1- (2,2-diethoxyethoxy) -4-methylbenzene
PC1024974-01	1-bromo-4- (2,2-diethoxyethoxy) -2-fluoro-3-methylbenzene
PC1026029-01	1-bromo-4- (2,2-diethoxyethoxy) -3-fluoro-2-methylbenzene
PC105498	1- (2,2-diethoxyethoxy) -2-fluorobenzene
OR27218	(2,2-Diethoxyethoxy) benzene
OR1065928-01	4- (2,2-Diethoxyethoxy) but-1-ene
OR110847-01	1-Bromo-2- (2,2-diethoxyethoxy) benzene
OR1091972-01	1- (2,2-Diethoxyethoxy) -4-ethylbenzene
PC1005842-01	1- (2,2-Diethoxyethoxy) -4-fluorobenzene

Catalog	Name
HBA43831-01	(2,2-Diethoxyethoxy) benzene
CDA09247-01	2- (2,2-Diethoxyethoxy) propane
YAA14521-01	2- (2,2-Diethoxyethoxy) benzaldehyde
BDA53471-01	2- (2,2-Diethoxyethoxy) ethanamine
NCC71261-01	1- (2,2-Diethoxyethoxy) -2-fluorobenzene
CWC89541-01	4-Bromo-2- (2,2-diethoxyethoxy) -1-fluorobenzene
YDA16629-01	3- (2,2-Diethoxyethoxy) prop-1-yne
REB29008-01	1- (2,2-Diethoxyethoxy) -4- (trifluoromethyl) benzene
RBA96404-01	1-Chloro-4- (2,2-diethoxyethoxy) benzene
TRC-B593400-500MG	3-(2,2-Diethoxyethoxy)prop-1-yne