tert-Butyl Dimethylphosphonoacetate

C₈H₁₇O₅PCAS 62327-21-3224.19 g/mol

Open in Covalent MOL file

Ester Phosphonate

Properties

Molecular formula: C₈H₁₇O₅P
Molar mass: 224.19 g/mol
Exact mass: 224.0814 Da
logP: 1.81Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

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

62327-21-3

SMILES

CC(C)(C)OC(=O)CP(=O)(OC)OC

InChIKey

SAZYDWOWLRDDRQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3

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Names and synonyms

1 names

tert-Butyl O,O-dimethylphosphonoacetate

Work with tert-Butyl Dimethylphosphonoacetate

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

tert-Butyl diethylphosphonoacetate27784-76-565 % similar Trimethyl phosphonoacetate5927-18-461 % similar Ethyl 2-(dimethoxyphosphinyl)acetate311-46-656 % similar 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-250 % similar Dimethyl P-(2-oxopropyl)phosphonate4202-14-648 % similar 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-847 % similar tert-Butyl propionate20487-40-547 % similar Benzyl dimethyl phosphonoacetate57443-18-246 % similar

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

Same formula

Diethyl (ethoxyacetyl)phosphonate30492-56-9 Triethyl phosphonoacetate867-13-0

Elsewhere

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