chempirical

Trimethyl phosphonoacetate

C5H11O5PCAS 5927-18-4182.11 g/mol

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EsterPhosphonate

Properties

Molecular formula
C5H11O5P
Molar mass
182.11 g/mol
Exact mass
182.0344 Da
Density
1.3166 g/mL (at 20 °C)
Melting point
242 °C
Boiling point
95 °C (at 0.1 Torr)
logP
0.65Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
5927-18-4
SMILES
COC(=O)CP(=O)(OC)OC
InChIKey
SIGOIUCRXKUEIG-UHFFFAOYSA-N
InChI
InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Acetic acid, 2-(dimethoxyphosphinyl)-, methyl ester
  • Acetic acid, phosphono-, trimethyl ester
  • Acetic acid, (dimethoxyphosphinyl)-, methyl ester
  • Methyl 2-(dimethylphosphono)acetate
  • [(Methoxycarbonyl)methyl]dimethylphosphonate
  • Methyl dimethylphosphonoacetate
  • Phosphonoacetic acid trimethyl ester
  • Dimethyl (carbomethoxymethyl)phosphonate
  • Carbomethoxymethanephosphonic acid dimethyl ester
  • Methyl (dimethoxyphosphinyl)acetate
  • Dimethyl (methoxycarbonylmethyl)phosphonate
  • (Carboxymethyl)phosphonic acid trimethyl ester
  • Dimethyl methoxycarbonylmethanephosphonate
  • (Dimethoxyphosphinyl)acetic acid methyl ester
  • NSC 84262
  • Methyl 2-(dimethoxyphosphinyl)acetate
  • Methyl 2-(dimethoxyphosphoryl)acetate

Work with Trimethyl phosphonoacetate

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

Methyl (diethylphosphono)acetate1067-74-963 % similar Ethyl 2-(dimethoxyphosphinyl)acetate311-46-663 % similar Dimethyl P-(2-oxopropyl)phosphonate4202-14-655 % similar Dimethyl glutarate1119-40-050 % similar Dimethyl adipate627-93-048 % similar Dimethyl sebacate106-79-646 % similar 1,12-Dimethyl dodecanedioate1731-79-946 % similar Dimethyl pimelate1732-08-746 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook