Basic information
- CAS
825637-08-9- Standard SMILES
CCCC(=O)C=CC1C(C)(C)CCCC1(C)C- InChIKey
KKGIJOFCCCBKQQ-UHFFFAOYSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- 1-(2,2,6,6-Tetramethylcyclohexyl)hex-1-en-3-one
- IUPAC
- 1-(2,2,6,6-tetramethylcyclohexyl)hex-1-en-3-one
Names & synonyms
1-(2,2,6,6-tetramethylcyclohexyl)hex-1-en-3-one825637-08-9DTXSID70837380
Database identifiers
- CAS
825637-08-9- PubChem CID
- 71418052
- DTXSID
DTXSID70837380
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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