Basic information
- CAS
140710-03-8- Standard SMILES
CC1=C(I)C(=O)CCC1- InChIKey
CAWRYBQGALUJKS-UHFFFAOYSA-N- Molecular formula
- C7H9IO
- Average molar mass
- 236.05 g/mol
- Monoisotopic mass
- 235.96981
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 2-iodo-3-methyl-
- IUPAC
- 2-iodo-3-methylcyclohex-2-en-1-one
Names & synonyms
140710-03-82-Cyclohexen-1-one, 2-iodo-3-methyl-DTXSID70437228RefChem:259774DTXCID003880522-iodo-3-methylcyclohex-2-en-1-one2-Iodo-3-methyl-2-cyclohexen-1-oneSCHEMBL8186830CAWRYBQGALUJKS-UHFFFAOYSA-NA1-11779
Database identifiers
- CAS
140710-03-8- PubChem CID
- 10243178
- DTXSID
DTXSID70437228- Nikkaji
- J993.652A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 170
Related reactions
1 records
Compound notes
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