2,2,4,4-Tetramethylcyclobutanedione

C8H12O2CAS 933-52-8140.18 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Melting point
111.5–113.5 °C
Boiling point
76.5–78.5 °C
logP
1.19Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
933-52-8
SMILES
CC1(C)C(=O)C(C)(C)C1=O
InChIKey
RGCDVHNITQEYPO-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-
  • 1,3-Cyclobutanedione, tetramethyl-
  • 2,2,4,4-Tetramethyl-1,3-cyclobutanedione
  • Tetramethyl-1,3-cyclobutanedione
  • Tetramethylcyclobuta-1,3-dione
  • NSC 46472
  • NSC 72172

Work with 2,2,4,4-Tetramethylcyclobutanedione

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

Di-tert-butyl ketone815-24-750 % similar Dimethylmalonic acid595-46-042 % similar 2,2-Dimethylcyclohexane-1,3-dione562-13-038 % similar Hexachloroacetone116-16-533 % similar 2-Bromoisobutyryl bromide20769-85-133 % similar 2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one3854-96-433 % similar Hexafluoroacetone684-16-233 % similar 2,2-Dimethyl cyclopropyl carboxylic acid75885-59-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vinyl cyclohexene dioxide106-87-6 Dimedone126-81-8 1-Cyclohexenyl acetate1424-22-2 2,4-Hexadienyl acetate1516-17-2 1-Cyclohexene-1-acetic acid18294-87-6 Methyl 1-cyclohexene-1-carboxylate18448-47-0 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1

Elsewhere

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