chempirical

Triethyl 2-phosphonopropionate

C9H19O5PCAS 3699-66-9238.22 g/mol

Open in Covalent MOL file
OOPOOO
EsterPhosphonate

Properties

Molecular formula
C9H19O5P
Molar mass
238.22 g/mol
Exact mass
238.0970 Da
Density
1.093 g/mL (at 20 °C)
Boiling point
130.5–132.5 °C (at 10.5 Torr)
logP
2.20Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Identifiers

CAS number
3699-66-9
SMILES
CCOC(=O)C(C)P(=O)(OCC)OCC
InChIKey
BVSRWCMAJISCTD-UHFFFAOYSA-N
InChI
InChI=1S/C9H19O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h8H,5-7H2,1-4H3

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Names and synonyms

15 names · show all
  • Propanoic acid, 2-(diethoxyphosphinyl)-, ethyl ester
  • Propionic acid, 2-phosphono-, triethyl ester
  • α-Diethylphosphonopropionic acid ethyl ester
  • Ethyl α-diethylphosphonopropionate
  • Ethyl 2-(diethylphosphono)propionate
  • Triethyl α-phosphonopropionate
  • Ethyl 2-(diethoxyphosphinyl)propanoate
  • 2-Phosphonopropanoic acid triethyl ester
  • 2-Phosphonopropionic acid triethyl ester
  • Triethyl 2-phosphonopropanoate
  • 2-(Diethoxyphosphoryl)propionic acid ethyl ester
  • 2-(Diethoxyphosphinyl)propanoic acid ethyl ester
  • Ethyl 2-(diethoxyphosphoryl)propanoate
  • Ethyl 2-(diethoxyphosphoryl)propionate
  • Ethyl 2(diethyoxyphosphoryl)propanoate

Work with Triethyl 2-phosphonopropionate

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

Ethyl 2-fluoropropionate127306-59-650 % similar Ethyl 2-cyanopropanoate1572-99-250 % similar Ethyl isobutyrate97-62-150 % similar Diethyl fluoromalonate685-88-148 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-447 % similar Ethyl 2-mercaptopropionate19788-49-946 % similar Ethyl 2-bromopropionate535-11-546 % similar Ethyl 2-chloropropionate535-13-746 % similar

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

Elsewhere

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