Basic information
- CAS
52842-33-8- Standard SMILES
CC(=O)[C@H]1[C@H](C)CCCC1(C)C- InChIKey
LGEFCQRTSXYJAD-PSASIEDQSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Overview
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Names & identifiers
- Preferred name
- trans-1-(2,2,6-Trimethylcyclohexyl)ethanone
- IUPAC
- 1-[(1S,6R)-2,2,6-trimethylcyclohexyl]ethanone
Names & synonyms
trans-1-(2,2,6-Trimethylcyclohexyl)ethanoneSCHEMBL4606059LGEFCQRTSXYJAD-PSASIEDQSA-NAKOS030242419DB-309426NS00123124(1S,6R)-2,2,6-trimethylcyclohexyl methyl ketone
Database identifiers
- CAS
52842-33-8- PubChem CID
- 104341
- Nikkaji
- J291.196E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Related reactions
1 records
Compound notes
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