chempirical

Dimethylbenzylcarbinyl acetate

C12H16O2CAS 151-05-3192.26 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
Boiling point
101–105 °C (at 10 Torr)
logP
2.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
151-05-3
SMILES
CC(=O)OC(C)(C)Cc1ccccc1
InChIKey
FLUWAIIVLCVEKF-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3

Weigh it out

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Names and synonyms

14 names · show all
  • 2-Methyl-1-phenyl-2-propyl acetate
  • Dimethylbenzylcarbonyl acetate
  • Acetic acid 1,1-Dimethyl-2-phenylethyl ester
  • Benzeneethanol, α,α-dimethyl-, 1-acetate
  • Phenethyl alcohol, α,α-dimethyl-, acetate
  • Benzeneethanol, α,α-dimethyl-, acetate
  • Benzyldimethylcarbinyl acetate
  • α,α-Dimethylphenethyl acetate
  • DMBCA
  • Dimethylbenzylcarbinol acetate
  • Benzyldimethylcarbinol acetate
  • 1,1-Dimethyl-2-phenylethyl acetate
  • 2-Methyl-1-phenylpropan-2-yl acetate
  • NSC 46123

Work with Dimethylbenzylcarbinyl acetate

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

Benzyl acetate140-11-451 % similar Phenethyl acetate103-45-750 % similar 3-Phenylpropyl acetate122-72-549 % similar 1-Phenyl-2-propanol acetate2114-33-245 % similar Phenyl acetate122-79-243 % similar Dl-α-methylphenylalanine1132-26-941 % similar α-Methyl-D-phenylalanine17350-84-441 % similar 2-(Acetyloxy)-1-phenylethanone2243-35-840 % similar

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

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 1-Ethenyl-4-(1-ethoxyethoxy)benzene157057-20-0

Elsewhere

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