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2- (2- (2- (2-Hydroxyethoxy) ethoxy) ethoxy) ethyl 2-ethylhexanoate

CAT: 0127-OR1060455-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060455-01Size:100 mg
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CAS Number
53814-86-1
Purity
98%
Smiles
CCCCC(CC)C(OCCOCCOCCOCCO)=O

Chemical Information

2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl 2-ethylhexanoate
CAS Number53814-86-1
PubChem CID103841
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
Molecular FormulaC16H32O6
Molecular Weight320.42
XLogP1.8
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity247
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C16H32O6/c1-3-5-6-15(4-2)16(18)22-14-13-21-12-11-20-10-9-19-8-7-17/h15,17H,3-14H2,1-2H3
InChIKey
KMFYCMCMPSNIJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl 2-ethylhexanoate
CAS: 53814-86-1
CID: 103841
Formula: C16H32O6
MW: 320.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.42
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass320.21988874
Monoisotopic Mass320.21988874
Topological Polar Surface Area74.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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