Basic information
- Standard SMILES
O=C1CCCC1(CCCCBr)C(=O)OCc1ccccc1- InChIKey
IUIFJUGKQRCLLD-UHFFFAOYSA-N- Molecular formula
- C17H21BrO3
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 352.06741
Names & identifiers
- Preferred name
- Benzyl 1-(4-bromobutyl)-2-oxo-cyclopentanecarboxylate
- IUPAC
- benzyl 1-(4-bromobutyl)-2-oxocyclopentane-1-carboxylate
Names & synonyms
SCHEMBL3776600IUIFJUGKQRCLLD-UHFFFAOYSA-NBenzyl 1-(4-bromobutyl)-2-oxo-cyclopentanecarboxylate
Database identifiers
- PubChem CID
- 68781908
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
2 records
Compound notes
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