Basic information
- Standard SMILES
COC(=O)c1cc(C(C)=O)c(C2CCC2)cc1C- InChIKey
XQLDIRJUHPRJEY-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
Names & identifiers
- Preferred name
- Methyl 5-acetyl-4-cyclobutyl-2-methylbenzoate
- IUPAC
- methyl 5-acetyl-4-cyclobutyl-2-methylbenzoate
Names & synonyms
SCHEMBL12489091XQLDIRJUHPRJEY-UHFFFAOYSA-Nmethyl 5-acetyl-4-cyclobutyl-2-methylbenzoate
Database identifiers
- PubChem CID
- 68288922
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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