chempirical

Methyl 3-[(trimethylsilyl)oxy]-2-butenoate

C8H16O3SiCAS 62269-44-7188.30 g/mol

Open in Covalent MOL file
OOOSi
AlkeneEsterSilyl ether

Properties

Molecular formula
C8H16O3Si
Molar mass
188.30 g/mol
Exact mass
188.0869 Da
Density
0.94 g/mL
Boiling point
57–59 °C (at 9 Torr)
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
62269-44-7
SMILES
COC(=O)C=C(C)O[Si](C)(C)C
InChIKey
OQNKCUVOGBTGDJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3

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Names and synonyms

3 names
  • 2-Butenoic acid, 3-[(trimethylsilyl)oxy]-, methyl ester
  • Methyl 3-(trimethylsiloxy)-2-butenoate
  • Methyl (Z/E)-3-((trimethylsilyl)oxy)but-2-enoate

Work with Methyl 3-[(trimethylsilyl)oxy]-2-butenoate

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

4-[(Trimethylsilyl)oxy]-3-penten-2-one13257-81-358 % similar Mevinphos7786-34-749 % similar Methyl 3-amino-2-butenoate14205-39-145 % similar Dimethyl maleate624-48-641 % similar Dimethyl fumarate624-49-741 % similar Trimethylsilyl acetate2754-27-040 % similar Methyl 4-chloro-3-methoxycrotonate85153-60-239 % similar Methyl glyoxylate922-68-939 % similar

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

Elsewhere

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