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Tert-Butyl Methyl Ether

CAT: 1299-RG-B202501-01Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
1634-04-4
Synonyms
2-methoxy-2-methylpropane
Molecular Formula
C5H12O
Molecular Weight
88.15
Product Name Synonym
2-methoxy-2-methylpropane

Chemical Information

tert-Butyl methyl ether

Methyl tert-butyl ether is an ether having methyl and tert-butyl as the two alkyl components. It has a role as a metabolite, a non-polar solvent and a fuel additive.

CAS Number1634-04-4
PubChem CID15413
IUPAC Name2-methoxy-2-methylpropane
Molecular FormulaC5H12O
Molecular Weight88.15
XLogP0.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity33
SMILES
CC(C)(C)OC
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
InChIKey
BZLVMXJERCGZMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl methyl ether
CAS: 1634-04-4
CID: 15413
Formula: C5H12O
MW: 88.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.15
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass88.088815002
Monoisotopic Mass88.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity33.7
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

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