2- (2-Ethylhexyloxy) Ethanol

CAT: 0127-OR1009686-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1009686-01Size:100 mL

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CAS Number

1559-35-9

MDL Number

MFCD00048785

Purity

98%

Smiles

CCCCOCCOCCCC

Chemical Information

2-(2-Ethylhexyloxy)ethanol

See also: Polyethylene glycol, mono-2-ethylhexyl ether (annotation moved to).

CAS Number	1559-35-9
PubChem CID	15260
IUPAC Name	2-(2-ethylhexoxy)ethanol
Molecular Formula	C10H22O2
Molecular Weight	174.28
XLogP	2.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	83

SMILES

CCCCC(CC)COCCO

InChI

InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3

InChIKey

OHJYHAOODFPJOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1559-35-9

CID: 15260

Formula: C10H22O2

MW: 174.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.28
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	174.161979940
Monoisotopic Mass	174.161979940
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	83.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes