Basic information
- CAS
110364-40-4- Standard SMILES
CC(C)C1=C(O)C(=O)C(C)(I)CC1- InChIKey
FDTHIYVWIMXSOF-UHFFFAOYSA-N- Molecular formula
- C10H15IO2
- Average molar mass
- 294.13 g/mol
- Monoisotopic mass
- 294.01168
Names & identifiers
- Preferred name
- 2-Hydroxy-6-iodo-6-methyl-3-(propan-2-yl)cyclohex-2-en-1-one
- IUPAC
- 2-hydroxy-6-iodo-6-methyl-3-propan-2-ylcyclohex-2-en-1-one
Names & synonyms
110364-40-42-Hydroxy-6-iodo-6-methyl-3-(propan-2-yl)cyclohex-2-en-1-oneDTXSID90548108
Database identifiers
- CAS
110364-40-4- PubChem CID
- 13740010
- DTXSID
DTXSID90548108- Nikkaji
- J1.629.432B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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