Basic information
- CAS
5436-99-7- Standard SMILES
CCCCCCOC(=O)CI- InChIKey
XJOFYNWBVZSJJZ-UHFFFAOYSA-N- Molecular formula
- C8H15IO2
- Average molar mass
- 270.11 g/mol
- Monoisotopic mass
- 270.01168
Names & identifiers
- Preferred name
- Hexyl iodoacetate
- IUPAC
- hexyl 2-iodoacetate
Names & synonyms
Hexyl iodoacetate5436-99-7DTXSID70969458RefChem:347787DTXCID501397011XJOFYNWBVZSJJZ-UHFFFAOYSA-NSCHEMBL3984068SCHEMBL10471805NSC21808NSC-21808
Database identifiers
- CAS
5436-99-7- PubChem CID
- 228708
- DTXSID
DTXSID70969458
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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