2-[2-(4,4,6-Trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]cyclopentan-1-one
Basic information
- CAS
36871-43-9- Standard SMILES
CC1CC(C)(C)N=C(CCC2CCCC2=O)O1- InChIKey
JDQNJTCLFUOCRX-UHFFFAOYSA-N- Molecular formula
- C14H23NO2
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.17287898
Names & identifiers
- Preferred name
- 2-[2-(4,4,6-Trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]cyclopentan-1-one
- IUPAC
- 2-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]cyclopentan-1-one
Names & synonyms
36871-43-92-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]cyclopentan-1-oneNSC160582DTXSID40303729NSC-1605822-[2-(4,4,6-Trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)ethyl]cyclopentan-1-one
Database identifiers
- CAS
36871-43-9- PubChem CID
- 293707
- DTXSID
DTXSID40303729
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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