2,2-Dimethylpentyl benzoate
Basic information
- CAS
5458-31-1- Standard SMILES
CCCC(C)(C)COC(=O)c1ccccc1- InChIKey
AYEMZUAGRPAAAA-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl benzoate
- IUPAC
- 2,2-dimethylpentyl benzoate
Names & synonyms
5458-31-12,2-dimethylpentyl benzoateNSC23546DTXSID30281946NSC-23546
Database identifiers
- CAS
5458-31-1- PubChem CID
- 229707
- DTXSID
DTXSID30281946
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- 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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