Basic information
- CAS
5439-37-2- Standard SMILES
CCCCC(CC)COC(=O)CI- InChIKey
JMLJFGVZNJBROE-UHFFFAOYSA-N- Molecular formula
- C10H19IO2
- Average molar mass
- 298.16 g/mol
- Monoisotopic mass
- 298.04298
Names & identifiers
- Preferred name
- 2-Ethylhexyl iodoacetate
- IUPAC
- 2-ethylhexyl 2-iodoacetate
Names & synonyms
5439-37-22-ethylhexyl iodoacetateNSC15103SCHEMBL22534409DTXSID50280017NSC-15103
Database identifiers
- CAS
5439-37-2- PubChem CID
- 225554
- DTXSID
DTXSID50280017
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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