Basic information
- CAS
5461-01-8- Standard SMILES
CCCC(C)(C)COC(=O)c1ccc(Cl)cc1- InChIKey
CVCFOUWRYMJSMK-UHFFFAOYSA-N- Molecular formula
- C14H19ClO2
- Average molar mass
- 254.75 g/mol
- Monoisotopic mass
- 254.1073575
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl 4-chlorobenzoate
- IUPAC
- 2,2-dimethylpentyl 4-chlorobenzoate
Names & synonyms
5461-01-82,2-dimethylpentyl 4-chlorobenzoateNSC23544DTXSID10281944NSC-23544
Database identifiers
- CAS
5461-01-8- PubChem CID
- 229705
- DTXSID
DTXSID10281944
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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