Basic information
- Standard SMILES
CC(=O)Oc1cc(C)ccc1C(C)(C)C- InChIKey
HVZDCJWCOKUYLW-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 3-Acetoxy-4-tert-butyltoluene
- IUPAC
- (2-tert-butyl-5-methylphenyl) acetate
Names & synonyms
3-acetoxy-4-tert-butyltolueneSCHEMBL6045218HVZDCJWCOKUYLW-UHFFFAOYSA-NAKOS005157515
Database identifiers
- PubChem CID
- 21458781
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
5 records
Compound notes
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