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4-Methoxy-4-methyl-2-pentanone

CAT: 0127-OR1079024-01Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1079024-01Size:25 mL
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CAS Number
107-70-0
MDL Number
MFCD00043932
Purity
>96.0%
Smiles
CC (=O) CC (C) (C) OC

Chemical Information

4-Methoxy-4-methyl-2-pentanone

4-methoxy-4-methylpentan-2-one appears as a clear colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used as a solvent.

CAS Number107-70-0
PubChem CID7884
IUPAC Name4-methoxy-4-methylpentan-2-one
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP0.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
CC(=O)CC(C)(C)OC
InChI
InChI=1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
InChIKey
KOKPBCHLPVDQTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-4-methyl-2-pentanone
CAS: 107-70-0
CID: 7884
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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

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