Ketone, (1-hydroxycyclohexyl)phenyl, 2-(dimethylamino)ethyl methyl acetal, oxalate
Basic information
- CAS
99998-17-1- Standard SMILES
COC(OCC[NH+](C)C)(c1ccccc1)C1(O)CCCCC1.O=C([O-])C(=O)O- InChIKey
WBKGUBGBFAGDQC-UHFFFAOYSA-N- Molecular formula
- C20H31NO7
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.21005233
Names & identifiers
- Preferred name
- Ketone, (1-hydroxycyclohexyl)phenyl, 2-(dimethylamino)ethyl methyl acetal, oxalate
- IUPAC
- 2-[(1-hydroxycyclohexyl)-methoxy-phenylmethoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalateKetone, (1-hydroxycyclohexyl)phenyl, 2-(dimethylamino)ethyl methyl acetal, oxalate99998-17-1RefChem:350362
Database identifiers
- CAS
99998-17-1- PubChem CID
- 57594
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 400
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…