2-(Benzyloxy)-2,6,6-trimethylcyclohexan-1-one
Basic information
- CAS
5247-40-5- Standard SMILES
CC1(C)CCCC(C)(OCc2ccccc2)C1=O- InChIKey
MKJQEDSNIHRNCZ-UHFFFAOYSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-2,6,6-trimethylcyclohexan-1-one
- IUPAC
- 2,2,6-trimethyl-6-phenylmethoxycyclohexan-1-one
Names & synonyms
5247-40-5NSC4016617479-50-72-(BENZYLOXY)-2,6,6-TRIMETHYLCYCLOHEXAN-1-ONEDTXSID50966905NSC-401661
Database identifiers
- CAS
5247-40-5、7479-50-7- PubChem CID
- 344635
- DTXSID
DTXSID50966905
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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