chempirical

4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate

C12H17NO5SiCAS 80149-80-0283.36 g/mol

Open in Covalent MOL file
SiOOON+OO−
CarbonateNitro

Properties

Molecular formula
C12H17NO5Si
Molar mass
283.36 g/mol
Exact mass
283.0876 Da
Melting point
35 °C
logP
3.45Crippen estimate
Polar surface area
78.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
80149-80-0
SMILES
C[Si](C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
ZAQWGGKIMQIVGM-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7H,8-9H2,1-3H3

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Names and synonyms

5 names
  • Carbonic acid, 4-nitrophenyl 2-(trimethylsilyl)ethyl ester
  • 2-(Trimethylsilyl)ethyl p-nitrophenyl carbonate
  • 2-(Trimethylsilyl)ethyl 4-nitrophenyl carbonate
  • 4-Nitrophenyl 2-trimethylsilylethyl carbonate
  • 2-(Trimethylsilanyl)ethyl 4-nitrophenyl carbonate

Work with 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate

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-Nitrophenyl 5-thiazolylmethyl carbonate144163-97-352 % similar 4-Nitrophenyl acetate830-03-551 % similar 4-Nitrophenyl chloroformate7693-46-148 % similar 4-Nitroanisole100-17-443 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-343 % similar 1-Butoxy-4-nitrobenzene7244-78-243 % similar (4-Nitrophenoxy)acetic acid1798-11-442 % similar 2-(4-Nitrophenoxy)ethanol16365-27-842 % similar

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

Elsewhere

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