Trimethylsilyl (diethoxyphosphinoyl)acetate

C₉H₂₁O₅PSiCAS 66130-90-3268.32 g/mol

Open in Covalent MOL file

Phosphonate Silyl ether

Properties

Molecular formula: C₉H₂₁O₅PSi
Molar mass: 268.32 g/mol
Exact mass: 268.0896 Da
logP: 2.63Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

66130-90-3

SMILES

CCOP(=O)(CC(=O)O[Si](C)(C)C)OCC

InChIKey

VHIDZGBMGSRVHR-UHFFFAOYSA-N

InChI

InChI=1S/C9H21O5PSi/c1-6-12-15(11,13-7-2)8-9(10)14-16(3,4)5/h6-8H2,1-5H3

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

Names and synonyms

5 names

Trimethylsilyl 2-(diethoxyphosphinyl)acetate
Acetic acid, 2-(diethoxyphosphinyl)-, trimethylsilyl ester
Acetic acid, (diethoxyphosphinyl)-, trimethylsilyl ester
Diethyl [(trimethylsilyloxycarbonyl)methyl]phosphonate
Trimethylsilyl diethylphosphonoacetate

Work with Trimethylsilyl (diethoxyphosphinoyl)acetate

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 phosphonoacetate867-13-064 % similar Methyl (diethylphosphono)acetate1067-74-962 % similar tert-Butyl diethylphosphonoacetate27784-76-557 % similar Diethyl (2-oxopropyl)phosphonate1067-71-651 % similar (Diethoxyphosphinyl)acetic acid3095-95-250 % similar Triethyl 3-phosphonopropionate3699-67-047 % similar Bis(trimethylsilyl) malonate18457-04-047 % similar Triethyl 4-phosphonobutyrate2327-69-745 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook