2,2-Dimethylpentyl 4-methoxybenzoate
Basic information
- CAS
5458-37-7- Standard SMILES
CCCC(C)(C)COC(=O)c1ccc(OC)cc1- InChIKey
CYIDXGLHQKFJSD-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl 4-methoxybenzoate
- IUPAC
- 2,2-dimethylpentyl 4-methoxybenzoate
Names & synonyms
5458-37-72,2-dimethylpentyl 4-methoxybenzoateNSC23552DTXSID80281951NSC-23552
Database identifiers
- CAS
5458-37-7- PubChem CID
- 229713
- DTXSID
DTXSID80281951
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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