chempirical

Diethyl 4-vinylbenzylphosphonate

C13H19O3PCAS 726-61-4254.27 g/mol

Open in Covalent MOL file
OPOO
AlkenePhosphonate

Properties

Molecular formula
C13H19O3P
Molar mass
254.27 g/mol
Exact mass
254.1072 Da
logP
4.10Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

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
726-61-4
SMILES
CCOP(=O)(CC1=CC=C(C=C1)C=C)OCC
InChIKey
UURKSQXMUNUXSI-UHFFFAOYSA-N
InChI
InChI=1S/C13H19O3P/c1-4-12-7-9-13(10-8-12)11-17(14,15-5-2)16-6-3/h4,7-10H,1,5-6,11H2,2-3H3

Weigh it out

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Work with Diethyl 4-vinylbenzylphosphonate

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

P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-772 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-566 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-663 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-262 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-761 % similar Diethyl P-[(4-bromophenyl)methyl]phosphonate38186-51-561 % similar Diethyl P-[(4-chlorophenyl)methyl]phosphonate39225-17-761 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-061 % similar

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

Elsewhere

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