Basic information
- Standard SMILES
CCCCOC(=O)C1(CCCCBr)CCCC1- InChIKey
NGBVMDOEPJAUQZ-UHFFFAOYSA-N- Molecular formula
- C14H25BrO2
- Average molar mass
- 305.25 g/mol
Names & identifiers
- Preferred name
- Butyl 1-(4-bromo-butyl)-cyclopentanecarboxylate
- IUPAC
- butyl 1-(4-bromobutyl)cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL187121NGBVMDOEPJAUQZ-UHFFFAOYSA-NDB-091358butyl 1-(4-bromo-butyl)-cyclopentanecarboxylate738607-12-0
Database identifiers
- PubChem CID
- 21932063
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
20 records
Compound notes
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