chempirical

Dimethyl-1,3-di(carbomethoxy)-1-propen-2-yl phosphate

C9H15O8PCAS 122-10-1282.18 g/mol

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AlkeneEsterPhosphate

Properties

Molecular formula
C9H15O8P
Molar mass
282.18 g/mol
Exact mass
282.0505 Da
Density
1.2 g/mL
Melting point
below 25 °C
Boiling point
155–164 °C (at 17 Torr)
logP
1.02Crippen estimate
Polar surface area
97.4 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
7

Identifiers

CAS number
122-10-1
SMILES
COC(=O)C=C(CC(=O)OC)OP(=O)(OC)OC
InChIKey
BZSSHIWHSJYWAD-UHFFFAOYSA-N
InChI
InChI=1S/C9H15O8P/c1-13-8(10)5-7(6-9(11)14-2)17-18(12,15-3)16-4/h5H,6H2,1-4H3

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Names and synonyms

9 names
  • 2-Pentenedioic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1,5-dimethyl ester
  • Glutaconic acid, 3-hydroxy-, dimethyl ester, dimethyl phosphate
  • 2-Pentenedioic acid, 3-[(dimethoxyphosphinyl)oxy]-, dimethyl ester
  • Phosphoric acid, dimethyl ester, ester with dimethyl 3-hydroxyglutaconate
  • GC 3707
  • ENT 24,833
  • Bomyl
  • Dimethyl 3-hydroxyglutaconate dimethyl phosphate
  • General chemicals 3707

Work with Dimethyl-1,3-di(carbomethoxy)-1-propen-2-yl phosphate

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

Mevinphos7786-34-757 % similar Trimethyl phosphonoacetate5927-18-446 % similar Methyl 4-chloro-3-methoxycrotonate85153-60-241 % similar Dimethyl malonate108-59-840 % similar 1,5-Dimethyl 3-oxopentanedioate1830-54-237 % similar Methyl (diethylphosphono)acetate1067-74-936 % similar Methyl 3-methyl-2-butenoate924-50-536 % similar Methyl 4-methyl-3-oxopentanoate42558-54-336 % similar

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

Elsewhere

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