3,3,7,7-Tetramethyl-1,2-oxazepan-5-one
Basic information
- CAS
42399-89-3- Standard SMILES
CC1(C)CC(=O)CC(C)(C)ON1- InChIKey
YUARUBGPNUEQBK-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one
- IUPAC
- 3,3,7,7-tetramethyloxazepan-5-one
Names & synonyms
3,3,7,7-Tetramethyl-1,2-oxazepan-5-one42399-89-377P99UHV1SUNII-77P99UHV1SNSC 180715NSC-1807151,2-Oxazepin-5(2H)-one, tetrahydro-3,3,7,7-tetramethyl-DTXSID40195202TETRAHYDRO-3,3,7,7-TETRAMETHYL-1,2-OXAZEPIN-5(2H)-ONERefChem:90765DTXCID10117693NSC180715
Show more names
3,3,7,7-tetramethyloxazepan-5-one1, tetrahydro-3,3,7,7-tetramethyl-
Database identifiers
- CAS
42399-89-3- PubChem CID
- 301897
- DTXSID
DTXSID40195202- UNII
- 77P99UHV1S
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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