tert-Butyl trimethylacetate

C₉H₁₈O₂CAS 16474-43-4158.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈O₂
Molar mass: 158.24 g/mol
Exact mass: 158.1307 Da
logP: 2.37Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

16474-43-4

SMILES

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

InChIKey

VXHFNALHLRWIIU-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O2/c1-8(2,3)7(10)11-9(4,5)6/h1-6H3

Weigh it out

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Names and synonyms

1 names

tert-Butyl pivalate

Work with tert-Butyl trimethylacetate

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

tert-Butyl peroxypivalate927-07-158 % similar Pivalic anhydride1538-75-657 % similar 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-556 % similar tert-Butyl acetate540-88-552 % similar Methyl pivalate598-98-152 % similar tert-Butyl 2-amino-2-methylpropanoate hydrochloride84758-81-650 % similar tert-Butyl methylcarbamate16066-84-546 % similar Ethyl pivalate3938-95-246 % similar

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

Same formula

Isoamyl butyrate106-27-4 Ethyl heptanoate106-30-9 Butyl isovalerate109-19-3 Methyl octanoate111-11-5 Pelargonic acid112-05-0 Heptyl acetate112-06-1 (±)-Butyl 2-methylbutanoate15706-73-7 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1

Elsewhere

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