4-Methylpentan-2-yl 4-methoxybenzoate
Basic information
- CAS
5332-91-2- Standard SMILES
COc1ccc(C(=O)OC(C)CC(C)C)cc1- InChIKey
CFJPQIUESQWXGU-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- 4-Methylpentan-2-yl 4-methoxybenzoate
- IUPAC
- 4-methylpentan-2-yl 4-methoxybenzoate
Names & synonyms
5332-91-24-methylpentan-2-yl 4-methoxybenzoateNSC571P-METHOXYBENZOIC ACID,3-DIMETHYLBUTYL ESTERDTXSID40277052NSC-571
Database identifiers
- CAS
5332-91-2- PubChem CID
- 219364
- DTXSID
DTXSID40277052
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…