chempirical

2,2-Dimethyltrimethylene carbonate

C6H10O3CAS 3592-12-9130.14 g/mol

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OOO
Carbonate

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Melting point
110–111 °C
Boiling point
110–120 °C (at 1 Torr)
logP
1.18Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
3592-12-9
SMILES
CC1(C)COC(=O)OC1
InChIKey
JRFXQKZEGILCCO-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-6(2)3-8-5(7)9-4-6/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 1,3-Dioxan-2-one, 5,5-dimethyl-
  • Carbonic acid, cyclic 2,2-dimethyltrimethylene ester
  • Carbonic acid, 2,2-dimethyltrimethylene ester
  • 5,5-Dimethyl-1,3-dioxan-2-one
  • Cyclic 2,2-dimethyltrimethylene carbonate
  • Neopentylene carbonate
  • 5,5-Dimethyl-2-oxo-1,3-dioxane
  • 5,5-Dimethyl-1,3-dioxane-2-one
  • Neopentyl glycol carbonate
  • NSC 14669
  • Cyclic 2,2-dimethylpropane carbonate
  • 5,5-Dimethyltrimethylene carbonate

Work with 2,2-Dimethyltrimethylene carbonate

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

Neopentyl glycol diacrylate2223-82-750 % similar Neopentyl glycol dimethacrylate1985-51-948 % similar Neopentyl glycol dibenzoate4196-89-845 % similar Diethyl carbonate105-58-843 % similar Ethylene carbonate96-49-143 % similar Hydroxypivalyl hydroxypivalate1115-20-441 % similar Dipropyl carbonate623-96-140 % similar 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one69225-59-840 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 Ethyl 2-oxobutanoate15933-07-0

Elsewhere

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