Basic information
- Standard SMILES
CC12CCC(CI)(CC1)OC2=O- InChIKey
MMFCPUQUEUCUBC-UHFFFAOYSA-N- Molecular formula
- C9H13IO2
- Average molar mass
- 280.1 g/mol
- Monoisotopic mass
- 279.99603
Names & identifiers
- Preferred name
- 1-Iodomethyl-4-methyl-2-oxabicyclo[2.2.2]-octan-3-one
- IUPAC
- 1-(iodomethyl)-4-methyl-2-oxabicyclo[2.2.2]octan-3-one
Names & synonyms
SCHEMBL9043128MMFCPUQUEUCUBC-UHFFFAOYSA-N1-iodomethyl-4-methyl-2-oxabicyclo[2.2.2]-octan-3-one1-iodomethyl-4-methyl-2-oxabicyclo[2.2.2]octan-3-one
Database identifiers
- PubChem CID
- 19004579
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Related reactions
3 records
Compound notes
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