3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile

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Basic information

CAS: 122881-71-4
Standard SMILES: CC(C)(C)OCC(C#N)COC(C)(C)C
InChIKey: PTJRBAXZDXSVMK-UHFFFAOYSA-N
Molecular formula: C12H23NO2
Average molar mass: 213.32 g/mol
Monoisotopic mass: 213.17287898

Names & identifiers

Preferred name: 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile
IUPAC: 3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanenitrile

Names & synonyms

3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile122881-71-4DTXSID401537613-tert-Butoxy-2-(tert-butoxymethyl)propanenitrile

Database identifiers

CAS: 122881-71-4
PubChem CID: 180145
DTXSID: DTXSID40153761

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 42.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 208

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