Di-tert-butyl ketone

C₉H₁₈OCAS 815-24-7142.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈O
Molar mass: 142.24 g/mol
Exact mass: 142.1358 Da
Density: 0.8776 g/mL (at 20 °C)
Melting point: −25.2 °C
Boiling point: 152 °C
logP: 2.65Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

815-24-7

SMILES

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

InChIKey

UIQGEWJEWJMQSL-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3

Weigh it out

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

Names and synonyms

6 names

3-Pentanone, 2,2,4,4-tetramethyl-
2,2,4,4-Tetramethyl-3-pentanone
Pivalone
Hexamethylacetone
2,2,4,4-Tetramethylpentanone
NSC 848

Work with Di-tert-butyl ketone

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

2,2,4,4-Tetramethylcyclobutanedione933-52-850 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-444 % similar Pinacolone75-97-844 % similar Pivalic anhydride1538-75-642 % similar Pivaloyl chloride3282-30-242 % similar 2,2-Dimethylpropanethioic acid55561-02-942 % similar Pivalic acid75-98-942 % similar 1-Chloropinacolone13547-70-138 % similar

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

Same formula

(Z)-3-Nonen-1-ol10340-23-5 Isobutyl ketone108-83-8 3,3,5-Trimethylcyclohexanol116-02-9 Nonanal124-19-6 1-Nonen-3-ol21964-44-3 trans-2-Nonen-1-ol31502-14-4 4,6-Dimethylhept-1-en-4-ol32189-75-6 cis-6-Nonen-1-ol35854-86-5

Elsewhere

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