chempirical

Dimethyl allylphosphonate

C5H11O3PCAS 757-54-0150.11 g/mol

Open in Covalent MOL file
OPOO
AlkenePhosphonate

Properties

Molecular formula
C5H11O3P
Molar mass
150.11 g/mol
Exact mass
150.0446 Da
logP
1.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
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
757-54-0
SMILES
COP(=O)(CC=C)OC
InChIKey
ZOSQAGGCVFVCNO-UHFFFAOYSA-N
InChI
InChI=1S/C5H11O3P/c1-4-5-9(6,7-2)8-3/h4H,1,5H2,2-3H3

Weigh it out

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

Work with Dimethyl allylphosphonate

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

Diethyl P-2-propen-1-ylphosphonate1067-87-457 % similar Dimethyl (hydroxymethyl)phosphonate24630-67-944 % similar Dimethyl P-(2-hydroxyethyl)phosphonate54731-72-541 % similar Dimethyl P-(2-oxopropyl)phosphonate4202-14-639 % similar Trimethyl phosphate512-56-138 % similar Trimethyl phosphonoacetate5927-18-438 % similar Dimethyl P-(phenylmethyl)phosphonate773-47-736 % similar Triallyl phosphate1623-19-434 % similar

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

Elsewhere

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