chempirical

Methyl pivalate

C6H12O2CAS 598-98-1116.16 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.891 g/mL (at 0 °C)
Boiling point
101.1 °C
logP
1.21Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
598-98-1
SMILES
COC(=O)C(C)(C)C
InChIKey
CNMFHDIDIMZHKY-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Propanoic acid, 2,2-dimethyl-, methyl ester
  • Pivalic acid, methyl ester
  • Methyl trimethylacetate
  • Methyl 2,2-dimethylpropanoate
  • Methyl 2,2-dimethylpropionate
  • 2,2-Dimethyl-propanoic acid methyl ester

Work with Methyl pivalate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pivalic anhydride1538-75-660 % similar Methyl trichloroacetate598-99-259 % similar Methyl 2-hydroxyisobutyrate2110-78-354 % similar Methyl 2-bromo-2-methylpropanoate23426-63-354 % similar 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate]2589-57-354 % similar Methyl 2-fluoroisobutyrate338-76-154 % similar Dimethyl difluoromalonate379-95-352 % similar Methyl trifluoroacetate431-47-052 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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