Basic information
- Standard SMILES
CC1(C)C2CC3CC(C2)CC1(Br)C3- InChIKey
KNXWQMXZCMXQIN-UHFFFAOYSA-N- Molecular formula
- C12H19Br
- Average molar mass
- 243.18 g/mol
- Monoisotopic mass
- 242.06701
Names & identifiers
- Preferred name
- Dimethyladamantyl bromide
- IUPAC
- 1-bromo-2,2-dimethyladamantane
Names & synonyms
dimethyladamantyl bromideSCHEMBL1930949KNXWQMXZCMXQIN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22994597
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Related reactions
2 records
Compound notes
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