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1-Iodo-2- (2- (2-methoxyethoxy) ethoxy) ethane

CAT: 0127-OR1007541Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1007541Size:1 Each
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CAS Number
62999-96-6
Purity
98%
Smiles
COCCOCCOCCI

Chemical Information

1-Iodo-3,6,9-trioxadecane
CAS Number62999-96-6
PubChem CID10636020
IUPAC Name1-[2-(2-iodoethoxy)ethoxy]-2-methoxyethane
Molecular FormulaC7H15IO3
Molecular Weight274.10
XLogP0.9
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity70
SMILES
COCCOCCOCCI
InChI
InChI=1S/C7H15IO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3
InChIKey
DLGFZOSPWIUMKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Iodo-3,6,9-trioxadecane
CAS: 62999-96-6
CID: 10636020
Formula: C7H15IO3
MW: 274.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.10
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass274.00659
Monoisotopic Mass274.00659
Topological Polar Surface Area27.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity70.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes