2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
Basic information
- CAS
85890-70-6- Standard SMILES
CC1CN(C2=CC(=O)CC(C)(C)C2)CC(C)O1- InChIKey
HQZWWBYUGZRNPM-UHFFFAOYSA-N- Molecular formula
- C14H23NO2
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.17287898
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
- IUPAC
- 3-(2,6-dimethylmorpholin-4-yl)-5,5-dimethylcyclohex-2-en-1-one
Names & synonyms
85890-70-62-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-DTXSID50405566RefChem:259793DTXCID603564193-(2,6-dimethylmorpholin-4-yl)-5,5-dimethylcyclohex-2-en-1-oneOprea1_659994Z56758931
Database identifiers
- CAS
85890-70-6- PubChem CID
- 4686337
- DTXSID
DTXSID50405566
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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