1-Tert-butyl-3,3,6,6-tetramethyl-5-oxoazepan-4-yl acetate
Basic information
- CAS
55886-34-5- Standard SMILES
CC(=O)OC1C(=O)C(C)(C)CN(C(C)(C)C)CC1(C)C- InChIKey
GKPBMIPLVCOUNN-UHFFFAOYSA-N- Molecular formula
- C16H29NO3
- Average molar mass
- 283.41 g/mol
- Monoisotopic mass
- 283.21474379
Names & identifiers
- Preferred name
- 1-Tert-butyl-3,3,6,6-tetramethyl-5-oxoazepan-4-yl acetate
- IUPAC
- (1-tert-butyl-3,3,6,6-tetramethyl-5-oxoazepan-4-yl) acetate
Names & synonyms
55886-34-51-tert-butyl-3,3,6,6-tetramethyl-5-oxoazepan-4-yl acetateDTXSID80302756RefChem:235383DTXCID80253890NSC153344NSC-153344
Database identifiers
- CAS
55886-34-5- PubChem CID
- 290252
- DTXSID
DTXSID80302756
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
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Related reactions
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Compound notes
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