2-Bromoethyl 2-methylpentanoate
Basic information
- CAS
6639-12-9- Standard SMILES
CCCC(C)C(=O)OCCBr- InChIKey
IIUGONOQVPHRCR-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554
Names & identifiers
- Preferred name
- 2-Bromoethyl 2-methylpentanoate
- IUPAC
- 2-bromoethyl 2-methylpentanoate
- English name
- 2-bromoethyl 2-methylpentanoate
- Molecular formula
- C8H15BrO2
- Molecular weight
- 0
Names & synonyms
2-bromoethyl 2-methylpentanoate6639-12-9NSC17873SCHEMBL25872669DTXSID80280646NSC-17873EN300-1571315
Database identifiers
- CAS
6639-12-9- PubChem CID
- 226892
- DTXSID
DTXSID80280646
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…