Butan-2-yl 4-propan-2-ylbenzoate
Basic information
- CAS
6315-02-2- Standard SMILES
CCC(C)OC(=O)c1ccc(C(C)C)cc1- InChIKey
XFNNZSVTZWAOKK-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- Butan-2-yl 4-propan-2-ylbenzoate
- IUPAC
- butan-2-yl 4-propan-2-ylbenzoate
Names & synonyms
6315-02-2butan-2-yl 4-(propan-2-yl)benzoatebutan-2-yl 4-propan-2-ylbenzoateNSC20050DTXSID50281084NSC-20050
Database identifiers
- CAS
6315-02-2- PubChem CID
- 227889
- DTXSID
DTXSID50281084
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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