Molecule ID: 69886

IUPAC Name: tert-butyl benzoate

Description: The molecule is a benzoate ester obtained by the formal condensation of benzoic acid with tert-butanol. It is a benzoate ester and a tert-butyl ester. It derives from a benzoic acid.

SMILES: CC(C)(C)OC(=O)c1ccccc1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.8