tert-Butyl 2-hydroxyacetate

C₆H₁₂O₃CAS 50595-15-8132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
logP: 0.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

50595-15-8

SMILES

CC(C)(C)OC(=O)CO

InChIKey

WINGEFIITRDOLJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h7H,4H2,1-3H3

Weigh it out

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Names and synonyms

1 names

2-T-Butyl glycolate

Work with tert-Butyl 2-hydroxyacetate

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

Similar compounds

1,3-Bis(1,1-dimethylethyl) propanedioate541-16-263 % similar tert-Butyl propionate20487-40-558 % similar tert-Butyl chloroacetate107-59-556 % similar tert-Butyl bromoacetate5292-43-356 % similar Mono-tert-butyl malonate40052-13-955 % similar Mono-tert-butyl succinate15026-17-253 % similar tert-Butyl acetoacetate1694-31-152 % similar 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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