Basic information
- CAS
14575-01-0- Standard SMILES
COC(=O)C12CC3CC(C)(CC(Br)(C3)C1)C2- InChIKey
YWJNXVRXYMATJJ-UHFFFAOYSA-N- Molecular formula
- C13H19BrO2
- Average molar mass
- 287.19 g/mol
- Monoisotopic mass
- 286.05684
Names & identifiers
- Preferred name
- Methyl 3-bromo-5-methyltricyclo[3.3.1.13,7]decane-1-carboxylate
- IUPAC
- methyl 3-bromo-5-methyladamantane-1-carboxylate
Names & synonyms
14575-01-0EINECS 238-614-8Methyl 3-bromo-5-methyltricyclo(3.3.1.13,7)decane-1-carboxylatemethyl 3-bromo-5-methyltricyclo[3.3.1.13,7]decane-1-carboxylateRefChem:157456238-614-8methyl 3-bromo-5-methyladamantane-1-carboxylateDTXSID50932685YWJNXVRXYMATJJ-UHFFFAOYSA-NNS00053934
Database identifiers
- CAS
14575-01-0- PubChem CID
- 85754
- DTXSID
DTXSID50932685- EC Number
- 238-614-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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