Basic information
- Standard SMILES
CC(C)(C)c1ccc(C(=O)CCCCCCl)cc1- InChIKey
RUWLBTNZCJJKNF-UHFFFAOYSA-N- Molecular formula
- C16H23ClO
- Average molar mass
- 266.8 g/mol
- Monoisotopic mass
- 266.143743
Names & identifiers
- Preferred name
- 4'-Tert-butyl-6-chlorocaprophenone
- IUPAC
- 1-(4-tert-butylphenyl)-6-chlorohexan-1-one
Names & synonyms
SCHEMBL11873561RUWLBTNZCJJKNF-UHFFFAOYSA-N4'-tert-butyl-6-chlorocaprophenone
Database identifiers
- PubChem CID
- 21552993
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
2 records
Compound notes
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