chempirical

2,2,6,6-Tetramethyl-3,5-heptanedione

C11H20O2CAS 1118-71-4184.28 g/mol

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OO
Ketone

Properties

Molecular formula
C11H20O2
Molar mass
184.28 g/mol
Exact mass
184.1463 Da
Melting point
above 400 °C (decomposes)
Boiling point
96–97 °C (at 20 Torr)
logP
2.61Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1118-71-4
SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)C
InChIKey
YRAJNWYBUCUFBD-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3

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

Names and synonyms

5 names
  • 3,5-Heptanedione, 2,2,6,6-tetramethyl-
  • Dipivaloylmethane
  • NSC 174296
  • 1,3-Di-tert-butyl-1,3-propanedione
  • 1,3-(tert-Butyl)-1,3-propanedione

Work with 2,2,6,6-Tetramethyl-3,5-heptanedione

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

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-470 % similar Methyl 4,4-dimethyl-3-oxopentanoate55107-14-757 % similar 1-Chloropinacolone13547-70-155 % similar Bromopinacolone5469-26-155 % similar 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-354 % similar 2,2-Dimethyl-3-hexanone5405-79-852 % similar Ethyl pivaloylacetate17094-34-752 % similar 2,2,7-Trimethyl-3,5-octanedione69725-37-752 % similar

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

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1 Buciclic acid38289-28-0

Elsewhere

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