Sodium 1,1-dimethylpropoxide

C5H11NaOCAS 14593-46-5110.13 g/mol

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O−Na+
Alcohol

Properties

Molecular formula
C5H11NaO
Molar mass
110.13 g/mol
Exact mass
110.0708 Da
logP
0.79Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14593-46-5
SMILES
CCC(C)(C)[O-].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

14 names · show all
  • 2-Butanol, 2-methyl-, sodium salt (1:1)
  • tert-Pentyl alcohol, sodium salt
  • 2-Butanol, 2-methyl-, sodium salt
  • Sodium, tert-pentyloxide
  • Sodium tert-amyl oxide
  • Sodium tert-pentoxide
  • Sodium tert-pentylate
  • Sodium 2-methylbutoxide
  • tert-Amyl alcohol sodium salt
  • Sodium tert-amylate
  • Sodium 1,1-dimethylpropylate
  • Sodium t-amylate
  • Sodium 2-methyl-2-butoxide
  • Sodium tert-amylate.

Work with Sodium 1,1-dimethylpropoxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Amyl alcohol75-85-4Parent compound Potassium tert-amylate41233-93-6Salt

Similar compounds

Sodium tert-butoxide865-48-538 % similar 3,3-Dimethylpentane562-49-233 % similar 2,2-Dimethylbutane75-83-233 % similar Sodium ethoxide141-52-632 % similar 2-Bromo-2-methylbutane507-36-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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