Diethyl (1-oxopentan-2-yl)phosphonate

C₉H₁₉O₄PCAS 112292-30-5222.22 g/mol

Open in Covalent MOL file

Aldehyde Phosphonate

Properties

Molecular formula: C₉H₁₉O₄P
Molar mass: 222.22 g/mol
Exact mass: 222.1021 Da
logP: 2.62Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

112292-30-5

SMILES

CCCC(C=O)P(=O)(OCC)OCC

InChIKey

GNADZBBZHMTITK-UHFFFAOYSA-N

InChI

InChI=1S/C9H19O4P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h8-9H,4-7H2,1-3H3

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Names and synonyms

1 names

2-Diethoxyphosphorylpentanal

Work with Diethyl (1-oxopentan-2-yl)phosphonate

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

Triethyl 2-fluoro-2-phosphonoacetate2356-16-339 % similar Diethyl(diphenylmethyl) phosphate27329-60-838 % similar 2-Methylpentaldehyde123-15-938 % similar Diethyl propylphosphonate18812-51-638 % similar Triethyl 2-phosphonopropionate3699-66-937 % similar Diethyl butylphosphonate2404-75-335 % similar Triethyl phosphate78-40-034 % similar Ethoprophos13194-48-434 % similar

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

Same formula

Dimethyl P-(2-oxoheptyl)phosphonate36969-89-8

Elsewhere

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