chempirical

tert-Butyl phenyl carbonate

C11H14O3CAS 6627-89-0194.23 g/mol

Open in Covalent MOL file
OOO
Carbonate

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Boiling point
74–78 °C (at 0.5 Torr)
logP
3.00Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
6627-89-0
SMILES
CC(C)(C)OC(=O)Oc1ccccc1
InChIKey
UXWVQHXKKOGTSY-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Carbonic acid, 1,1-dimethylethyl phenyl ester
  • Carbonic acid, tert-butyl phenyl ester
  • Phenyl tert-butyl carbonate
  • 1-tert-Butoxycarbonyloxybenzene
  • NSC 60248
  • 1,1-Dimethylethyl phenyl carbonate

Work with tert-Butyl phenyl 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

Diphenyl carbonate102-09-063 % similar (4-((tert-Butoxycarbonyl)oxy)phenyl)boronicacid380430-70-661 % similar 1,1-Dimethylethyl 4-ethenylphenyl carbonate87188-51-061 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-450 % similar Phenyl phenylmethyl carbonate28170-07-249 % similar 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile58632-95-448 % similar Phenyl acetate122-79-247 % similar (tert-Butoxycarbonylmethylene)triphenylphosphorane35000-38-545 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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