3-Pentanone, 2,4-diiodo-
Basic information
- CAS
400643-56-3- Standard SMILES
CC(I)C(=O)C(C)I- InChIKey
YXWFMIGIPJOXGJ-UHFFFAOYSA-N- Molecular formula
- C5H8I2O
- Average molar mass
- 337.93 g/mol
- Monoisotopic mass
- 337.86646
Names & identifiers
- Preferred name
- 3-Pentanone, 2,4-diiodo-
- IUPAC
- 2,4-diiodopentan-3-one
Names & synonyms
3-Pentanone, 2,4-diiodo-400643-56-3DTXSID20461432RefChem:281577DTXCID104122512,4-diiodopentan-3-one
Database identifiers
- CAS
400643-56-3- PubChem CID
- 11290684
- DTXSID
DTXSID20461432- Nikkaji
- J1.608.966D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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