Basic information
- Standard SMILES
CCOC(=O)C1(CCC(C)Br)CCC1- InChIKey
VVFIXMXNIAUVCZ-UHFFFAOYSA-N- Molecular formula
- C11H19BrO2
- Average molar mass
- 263.17 g/mol
Names & identifiers
- Preferred name
- Racemic ethyl 1-(3-bromobutyl)cyclobutanecarboxylate
- IUPAC
- ethyl 1-(3-bromobutyl)cyclobutane-1-carboxylate
Names & synonyms
SCHEMBL1659470VVFIXMXNIAUVCZ-UHFFFAOYSA-N1292306-95-6DB-124665racemic ethyl 1-(3-bromobutyl)cyclobutanecarboxylate
Database identifiers
- PubChem CID
- 67110992
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
1 records
Compound notes
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