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4-HNE-Dimethylacetal

CAT: 0013-GTR19269523-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269523-01Size:50 mg
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Description
4-HNE-Dimethylacetal, an α, β-unsaturated hydroxy aldehyde, can be produced through intracellular lipid peroxidation. It is useful for researching cell signaling pathways, ranging from cell cycle events to cell adhesion.
CAS Number
119009-01-7
Smiles
C (/C=C/[C@@H] (CCCCC) O) (OC) OC
Molecular Formula
C11H22O3
Molecular Weight
202.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-HNE-Dimethylacetal
CAS Number119009-01-7
PubChem CID14159265
IUPAC Name(E,4R)-1,1-dimethoxynon-2-en-4-ol
Molecular FormulaC11H22O3
Molecular Weight202.29
XLogP2.1
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity141
SMILES
CCCCC[C@H](/C=C/C(OC)OC)O
InChI
InChI=1S/C11H22O3/c1-4-5-6-7-10(12)8-9-11(13-2)14-3/h8-12H,4-7H2,1-3H3/b9-8+/t10-/m1/s1
InChIKey
ATGIHMSJAARJTF-AAXQSMANSA-N
Chemical Structure
2D Structure
2D structure of 4-HNE-Dimethylacetal
CAS: 119009-01-7
CID: 14159265
Formula: C11H22O3
MW: 202.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.29
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass202.15689456
Monoisotopic Mass202.15689456
Topological Polar Surface Area38.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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